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[ CAS No. 45172-15-4 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
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3d Animation Molecule Structure of 45172-15-4
Chemical Structure| 45172-15-4
Chemical Structure| 45172-15-4
Structure of 45172-15-4 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 45172-15-4 ]

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Alternatived Products of [ 45172-15-4 ]

Product Details of [ 45172-15-4 ]

CAS No. :45172-15-4 MDL No. :MFCD08276480
Formula : C10H14N2O4 Boiling Point : -
Linear Structure Formula :- InChI Key :IGWTZHMYJZZIGC-VIFPVBQESA-N
M.W : 226.23 Pubchem ID :71440643
Synonyms :

Calculated chemistry of [ 45172-15-4 ]

Physicochemical Properties

Num. heavy atoms : 16
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.7
Num. rotatable bonds : 9
Num. H-bond acceptors : 6.0
Num. H-bond donors : 0.0
Molar Refractivity : 55.98
TPSA : 85.16 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.32 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.73
Log Po/w (XLOGP3) : 3.33
Log Po/w (WLOGP) : 0.76
Log Po/w (MLOGP) : 0.45
Log Po/w (SILICOS-IT) : 2.34
Consensus Log Po/w : 1.92

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.75
Solubility : 0.406 mg/ml ; 0.00179 mol/l
Class : Soluble
Log S (Ali) : -4.8
Solubility : 0.00363 mg/ml ; 0.000016 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -2.02
Solubility : 2.14 mg/ml ; 0.00946 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 2.99

Safety of [ 45172-15-4 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P264-P271-P272-P280-P285-P302+P352-P304+P340-P305+P351+P338-P311-P333+P313-P362-P501 UN#:2206
Hazard Statements:H315-H317-H319-H331-H334-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 45172-15-4 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 45172-15-4 ]

[ 45172-15-4 ] Synthesis Path-Downstream   1~12

  • 1
  • [ 75-44-5 ]
  • [ 62192-49-8 ]
  • [ 45172-15-4 ]
YieldReaction ConditionsOperation in experiment
With triethylamine
  • 2
  • polyethylene glycol, PEG400 [ No CAS ]
  • [ 50-99-7 ]
  • [ 50-02-2 ]
  • [ 45172-15-4 ]
  • [ 50-81-7 ]
  • poly(lysine diisocyanate ethyl ester-co-glucose-co-polyethylene glycol-co-ascorbic acid-co-dexamethasone) [ No CAS ]
YieldReaction ConditionsOperation in experiment
Stage #1: polyethylene glycol, PEG400; D-glucose; dexamethasone; L-lysine ethyl ester diisocyanate; ascorbic acid In dimethyl sulfoxide at 20℃; for 192h; In the dark; Stage #2: With water In dimethyl sulfoxide for 0.5h; 2a Example 2; LDI/PEG/glucose/dexamethasone Polymer and LDI/PEG/glucose/β-glycerol Phosphate Polymer Example 2a; Synthesis of LDI-PEG-glucose Containing Bioactive Reagents Polymer Foam 0.18 g glucose (1 mmol; -OH 5 mmol) was dissolved with 5 ml DMSO in a dry round-bottomed flask, flushed with nitrogen and then the flask was fitted with a rubber septum and sealed. Subsequently, 1 ml of LDI (5.45 mmol, -NCO 10.92 mmol) was added to the flask with a syringe. The reaction mixture was stirred in the dark at room temperature for 5 days. The formation of urethane linkage was monitored by FT-IR spectra. 2 ml of PEG (molecular weight about 400; 5.64 mmol; -OH 11.27 mmol) were added when FT-IR spectra shown 50% of isocyanate group left in the reaction mixture. The reaction mixture was stirred for another 3 days. Then another 1 ml of LDI (5.45 mmol, -NCO 10.92 mmol) was added and continued reaction for another 3 days. 0.5 ml of water with or without bioactive reagents was added, stirred for 30 min to make foam. For the dexamethasone-containing polymer foam, 5.6 μg dexamethasone (Dex) was added and the concentration of dexamethasone in the polymer foam was 1.2 μg/g foam; for the β-glycerophosphate-containing polymer foam, 162 mg β-glycerophosphate (β-GP) was added and the concentration of β-glycerophosphate in the polymer was 34.1 mg/g foam. For the ascorbic acid-containing polymer foam, 1.25 mg ascorbic acid (Vc) was added and the concentration of ascorbic acid in the polymer was 295.5 μg/g foam. For any other two or three bioactive reagents-containing polymer, the same concentration of each compound was added in each polymer to get Vc+β-GP; Vc+Dex; and Vc+β-GP+Dex polymer foams.
  • 3
  • polyethylene glycol, PEG400 [ No CAS ]
  • [ 17181-54-3 ]
  • [ 50-99-7 ]
  • [ 50-02-2 ]
  • [ 45172-15-4 ]
  • [ 50-81-7 ]
  • poly(lysine diisocyanate ethyl ester-co-glucose-co-polyethylene glycol-co-ascorbic acid-co-dexamethasone-co-β-glycerophosphate) [ No CAS ]
YieldReaction ConditionsOperation in experiment
Stage #1: polyethylene glycol, PEG400; glycerol 2-phosphate, free acid; D-glucose; dexamethasone; L-lysine ethyl ester diisocyanate; ascorbic acid In dimethyl sulfoxide at 20℃; for 192h; In the dark; Stage #2: With water In dimethyl sulfoxide for 0.5h; 2a Example 2; LDI/PEG/glucose/dexamethasone Polymer and LDI/PEG/glucose/β-glycerol Phosphate Polymer Example 2a; Synthesis of LDI-PEG-glucose Containing Bioactive Reagents Polymer Foam 0.18 g glucose (1 mmol; -OH 5 mmol) was dissolved with 5 ml DMSO in a dry round-bottomed flask, flushed with nitrogen and then the flask was fitted with a rubber septum and sealed. Subsequently, 1 ml of LDI (5.45 mmol, -NCO 10.92 mmol) was added to the flask with a syringe. The reaction mixture was stirred in the dark at room temperature for 5 days. The formation of urethane linkage was monitored by FT-IR spectra. 2 ml of PEG (molecular weight about 400; 5.64 mmol; -OH 11.27 mmol) were added when FT-IR spectra shown 50% of isocyanate group left in the reaction mixture. The reaction mixture was stirred for another 3 days. Then another 1 ml of LDI (5.45 mmol, -NCO 10.92 mmol) was added and continued reaction for another 3 days. 0.5 ml of water with or without bioactive reagents was added, stirred for 30 min to make foam. For the dexamethasone-containing polymer foam, 5.6 μg dexamethasone (Dex) was added and the concentration of dexamethasone in the polymer foam was 1.2 μg/g foam; for the β-glycerophosphate-containing polymer foam, 162 mg β-glycerophosphate (β-GP) was added and the concentration of β-glycerophosphate in the polymer was 34.1 mg/g foam. For the ascorbic acid-containing polymer foam, 1.25 mg ascorbic acid (Vc) was added and the concentration of ascorbic acid in the polymer was 295.5 μg/g foam. For any other two or three bioactive reagents-containing polymer, the same concentration of each compound was added in each polymer to get Vc+β-GP; Vc+Dex; and Vc+β-GP+Dex polymer foams.
  • 4
  • polyethylene glycol, PEG400 [ No CAS ]
  • [ 50-99-7 ]
  • [ 50-02-2 ]
  • [ 45172-15-4 ]
  • poly(lysine diisocyanate ethyl ester-co-glucose-co-polyethylene glycol-co-dexamethasone) [ No CAS ]
YieldReaction ConditionsOperation in experiment
Stage #1: polyethylene glycol, PEG400; D-glucose; dexamethasone; L-lysine ethyl ester diisocyanate In dimethyl sulfoxide at 20℃; for 192h; In the dark; Stage #2: With water In dimethyl sulfoxide for 0.5h; 2a Example 2; LDI/PEG/glucose/dexamethasone Polymer and LDI/PEG/glucose/β-glycerol Phosphate Polymer Example 2a; Synthesis of LDI-PEG-glucose Containing Bioactive Reagents Polymer Foam 0.18 g glucose (1 mmol; -OH 5 mmol) was dissolved with 5 ml DMSO in a dry round-bottomed flask, flushed with nitrogen and then the flask was fitted with a rubber septum and sealed. Subsequently, 1 ml of LDI (5.45 mmol, -NCO 10.92 mmol) was added to the flask with a syringe. The reaction mixture was stirred in the dark at room temperature for 5 days. The formation of urethane linkage was monitored by FT-IR spectra. 2 ml of PEG (molecular weight about 400; 5.64 mmol; -OH 11.27 mmol) were added when FT-IR spectra shown 50% of isocyanate group left in the reaction mixture. The reaction mixture was stirred for another 3 days. Then another 1 ml of LDI (5.45 mmol, -NCO 10.92 mmol) was added and continued reaction for another 3 days. 0.5 ml of water with or without bioactive reagents was added, stirred for 30 min to make foam. For the dexamethasone-containing polymer foam, 5.6 μg dexamethasone (Dex) was added and the concentration of dexamethasone in the polymer foam was 1.2 μg/g foam; for the β-glycerophosphate-containing polymer foam, 162 mg β-glycerophosphate (β-GP) was added and the concentration of β-glycerophosphate in the polymer was 34.1 mg/g foam. For the ascorbic acid-containing polymer foam, 1.25 mg ascorbic acid (Vc) was added and the concentration of ascorbic acid in the polymer was 295.5 μg/g foam. For any other two or three bioactive reagents-containing polymer, the same concentration of each compound was added in each polymer to get Vc+β-GP; Vc+Dex; and Vc+β-GP+Dex polymer foams.
  • 5
  • polyethylene glycol, PEG400 [ No CAS ]
  • [ 50-99-7 ]
  • [ 45172-15-4 ]
  • [ 50-81-7 ]
  • poly(lysine diisocyanate ethyl ester-co-glucose-co-polyethylene glycol-co-ascorbic acid) [ No CAS ]
YieldReaction ConditionsOperation in experiment
Stage #1: polyethylene glycol, PEG400; D-glucose; L-lysine ethyl ester diisocyanate; ascorbic acid In dimethyl sulfoxide at 20℃; for 192h; In the dark; Stage #2: With water In dimethyl sulfoxide for 0.5h; 2a Example 2; LDI/PEG/glucose/dexamethasone Polymer and LDI/PEG/glucose/β-glycerol Phosphate Polymer Example 2a; Synthesis of LDI-PEG-glucose Containing Bioactive Reagents Polymer Foam 0.18 g glucose (1 mmol; -OH 5 mmol) was dissolved with 5 ml DMSO in a dry round-bottomed flask, flushed with nitrogen and then the flask was fitted with a rubber septum and sealed. Subsequently, 1 ml of LDI (5.45 mmol, -NCO 10.92 mmol) was added to the flask with a syringe. The reaction mixture was stirred in the dark at room temperature for 5 days. The formation of urethane linkage was monitored by FT-IR spectra. 2 ml of PEG (molecular weight about 400; 5.64 mmol; -OH 11.27 mmol) were added when FT-IR spectra shown 50% of isocyanate group left in the reaction mixture. The reaction mixture was stirred for another 3 days. Then another 1 ml of LDI (5.45 mmol, -NCO 10.92 mmol) was added and continued reaction for another 3 days. 0.5 ml of water with or without bioactive reagents was added, stirred for 30 min to make foam. For the dexamethasone-containing polymer foam, 5.6 μg dexamethasone (Dex) was added and the concentration of dexamethasone in the polymer foam was 1.2 μg/g foam; for the β-glycerophosphate-containing polymer foam, 162 mg β-glycerophosphate (β-GP) was added and the concentration of β-glycerophosphate in the polymer was 34.1 mg/g foam. For the ascorbic acid-containing polymer foam, 1.25 mg ascorbic acid (Vc) was added and the concentration of ascorbic acid in the polymer was 295.5 μg/g foam. For any other two or three bioactive reagents-containing polymer, the same concentration of each compound was added in each polymer to get Vc+β-GP; Vc+Dex; and Vc+β-GP+Dex polymer foams.
  • 6
  • polyethylene glycol, PEG400 [ No CAS ]
  • [ 17181-54-3 ]
  • [ 50-99-7 ]
  • [ 45172-15-4 ]
  • [ 50-81-7 ]
  • poly(lysine diisocyanate ethyl ester-co-glucose-co-polyethylene glycol-co-ascorbic acid-co-β-glycerophosphate) [ No CAS ]
YieldReaction ConditionsOperation in experiment
Stage #1: polyethylene glycol, PEG400; glycerol 2-phosphate, free acid; D-glucose; L-lysine ethyl ester diisocyanate; ascorbic acid In dimethyl sulfoxide at 20℃; for 192h; In the dark; Stage #2: With water In dimethyl sulfoxide for 0.5h; 2a Example 2; LDI/PEG/glucose/dexamethasone Polymer and LDI/PEG/glucose/β-glycerol Phosphate Polymer Example 2a; Synthesis of LDI-PEG-glucose Containing Bioactive Reagents Polymer Foam 0.18 g glucose (1 mmol; -OH 5 mmol) was dissolved with 5 ml DMSO in a dry round-bottomed flask, flushed with nitrogen and then the flask was fitted with a rubber septum and sealed. Subsequently, 1 ml of LDI (5.45 mmol, -NCO 10.92 mmol) was added to the flask with a syringe. The reaction mixture was stirred in the dark at room temperature for 5 days. The formation of urethane linkage was monitored by FT-IR spectra. 2 ml of PEG (molecular weight about 400; 5.64 mmol; -OH 11.27 mmol) were added when FT-IR spectra shown 50% of isocyanate group left in the reaction mixture. The reaction mixture was stirred for another 3 days. Then another 1 ml of LDI (5.45 mmol, -NCO 10.92 mmol) was added and continued reaction for another 3 days. 0.5 ml of water with or without bioactive reagents was added, stirred for 30 min to make foam. For the dexamethasone-containing polymer foam, 5.6 μg dexamethasone (Dex) was added and the concentration of dexamethasone in the polymer foam was 1.2 μg/g foam; for the β-glycerophosphate-containing polymer foam, 162 mg β-glycerophosphate (β-GP) was added and the concentration of β-glycerophosphate in the polymer was 34.1 mg/g foam. For the ascorbic acid-containing polymer foam, 1.25 mg ascorbic acid (Vc) was added and the concentration of ascorbic acid in the polymer was 295.5 μg/g foam. For any other two or three bioactive reagents-containing polymer, the same concentration of each compound was added in each polymer to get Vc+β-GP; Vc+Dex; and Vc+β-GP+Dex polymer foams.
  • 7
  • polyethylene glycol, PEG400 [ No CAS ]
  • [ 50-99-7 ]
  • [ 45172-15-4 ]
  • poly(lysine diisocyanate ethyl ester-co-glucose-co-polyethylene glycol) [ No CAS ]
YieldReaction ConditionsOperation in experiment
Stage #1: polyethylene glycol, PEG400; D-glucose; L-lysine ethyl ester diisocyanate In dimethyl sulfoxide at 20℃; for 192h; In the dark; Stage #2: With water In dimethyl sulfoxide for 0.5h; 2a Example 2; LDI/PEG/glucose/dexamethasone Polymer and LDI/PEG/glucose/β-glycerol Phosphate Polymer Example 2a; Synthesis of LDI-PEG-glucose Containing Bioactive Reagents Polymer Foam 0.18 g glucose (1 mmol; -OH 5 mmol) was dissolved with 5 ml DMSO in a dry round-bottomed flask, flushed with nitrogen and then the flask was fitted with a rubber septum and sealed. Subsequently, 1 ml of LDI (5.45 mmol, -NCO 10.92 mmol) was added to the flask with a syringe. The reaction mixture was stirred in the dark at room temperature for 5 days. The formation of urethane linkage was monitored by FT-IR spectra. 2 ml of PEG (molecular weight about 400; 5.64 mmol; -OH 11.27 mmol) were added when FT-IR spectra shown 50% of isocyanate group left in the reaction mixture. The reaction mixture was stirred for another 3 days. Then another 1 ml of LDI (5.45 mmol, -NCO 10.92 mmol) was added and continued reaction for another 3 days. 0.5 ml of water with or without bioactive reagents was added, stirred for 30 min to make foam. For the dexamethasone-containing polymer foam, 5.6 μg dexamethasone (Dex) was added and the concentration of dexamethasone in the polymer foam was 1.2 μg/g foam; for the β-glycerophosphate-containing polymer foam, 162 mg β-glycerophosphate (β-GP) was added and the concentration of β-glycerophosphate in the polymer was 34.1 mg/g foam. For the ascorbic acid-containing polymer foam, 1.25 mg ascorbic acid (Vc) was added and the concentration of ascorbic acid in the polymer was 295.5 μg/g foam. For any other two or three bioactive reagents-containing polymer, the same concentration of each compound was added in each polymer to get Vc+β-GP; Vc+Dex; and Vc+β-GP+Dex polymer foams.
  • 8
  • polyethylene glycol, PEG400 [ No CAS ]
  • [ 17181-54-3 ]
  • [ 50-99-7 ]
  • [ 45172-15-4 ]
  • poly(lysine diisocyanate ethyl ester-co-glucose-co-polyethylene glycol-co-β-glycerophosphate) [ No CAS ]
YieldReaction ConditionsOperation in experiment
Stage #1: polyethylene glycol, PEG400; glycerol 2-phosphate, free acid; D-glucose; L-lysine ethyl ester diisocyanate In dimethyl sulfoxide at 20℃; for 192h; In the dark; Stage #2: With water In dimethyl sulfoxide for 0.5h; 2a Example 2; LDI/PEG/glucose/dexamethasone Polymer and LDI/PEG/glucose/β-glycerol Phosphate Polymer Example 2a; Synthesis of LDI-PEG-glucose Containing Bioactive Reagents Polymer Foam 0.18 g glucose (1 mmol; -OH 5 mmol) was dissolved with 5 ml DMSO in a dry round-bottomed flask, flushed with nitrogen and then the flask was fitted with a rubber septum and sealed. Subsequently, 1 ml of LDI (5.45 mmol, -NCO 10.92 mmol) was added to the flask with a syringe. The reaction mixture was stirred in the dark at room temperature for 5 days. The formation of urethane linkage was monitored by FT-IR spectra. 2 ml of PEG (molecular weight about 400; 5.64 mmol; -OH 11.27 mmol) were added when FT-IR spectra shown 50% of isocyanate group left in the reaction mixture. The reaction mixture was stirred for another 3 days. Then another 1 ml of LDI (5.45 mmol, -NCO 10.92 mmol) was added and continued reaction for another 3 days. 0.5 ml of water with or without bioactive reagents was added, stirred for 30 min to make foam. For the dexamethasone-containing polymer foam, 5.6 μg dexamethasone (Dex) was added and the concentration of dexamethasone in the polymer foam was 1.2 μg/g foam; for the β-glycerophosphate-containing polymer foam, 162 mg β-glycerophosphate (β-GP) was added and the concentration of β-glycerophosphate in the polymer was 34.1 mg/g foam. For the ascorbic acid-containing polymer foam, 1.25 mg ascorbic acid (Vc) was added and the concentration of ascorbic acid in the polymer was 295.5 μg/g foam. For any other two or three bioactive reagents-containing polymer, the same concentration of each compound was added in each polymer to get Vc+β-GP; Vc+Dex; and Vc+β-GP+Dex polymer foams.
  • 9
  • polyethylene glycol, PEG200 [ No CAS ]
  • [ 45172-15-4 ]
  • [ 56-81-5 ]
  • [ 50-81-7 ]
  • poly(lysine diisocyanate ethyl ester-co-glycerol-co-polyethylene glycol-co-ascorbic acid) [ No CAS ]
YieldReaction ConditionsOperation in experiment
Stage #1: polyethylene glycol, PEG200; L-lysine ethyl ester diisocyanate; glycerol; ascorbic acid at 20℃; for 120h; In the dark; Stage #2: With water for 0.5h; 1a Example 1a; Synthesis of LDI-glycerol-PEG-AA Polymer Lysine diisocyanate ethyl ester (LDI) was synthesized according the method described by Zhang et al. See Zhang, J. Y., Beckman, E. J., Piesco, N. P., and Agarwal, S. A new peptide-based urethane polymer: synthesis, biodegradation, and potential to support cell growth in vitro. Biomaterials 21, 1247-1258, 2000. The ascorbic acid containing polymer scaffold (LDI-glycerol-PEG-AA) was synthesized as follows: 35 mg ascorbic acid, 1.6 g PEG 200 (8 mmol, -OH 16 mmol) and 1.6 g glycerol (17.39 mmol, -OH 52.17 mmol) were mixed in a dry round-bottom flask, which was then flushed with nitrogen and fitted with a rubber septum. Subsequently, 7 ml of LDI (35.84 mmol, -NCO 71.67 mmol) were added to the flask with a syringe. The reaction mixture was stirred in the dark at room temperature for 5 days. The formation of urethane linkages was monitored by FT-IR spectra. When FT-IR spectra (specifically the peak at 2165 cm-1) showed that approximately 90% of the initially present -NCO group had reacted to form urethane linkages, water (100 μl/g pre-polymer) was added, and the mixture was stirred for 30 min to generate a polyurethane-urea foam. The ascorbic acid concentration in this polymer foam was 3.09 mg ascorbic acid/g polymer.
  • 10
  • LacZ plasmid DNA [ No CAS ]
  • polyethylene glycol, PEG400 [ No CAS ]
  • O,O'-bis(2-aminopropyl)-polypropylene glycol 300 [ No CAS ]
  • [ 45172-15-4 ]
  • poly(lysine diisocyanate ethyl ester-co-glycerol-co-O,O'-bis(2-aminopropyl)-polypropylene glycol 300-co-Runx2 plasmid DNA) [ No CAS ]
YieldReaction ConditionsOperation in experiment
for 0.166667h; 3a Example 3; LDI/glycerol/DNA Polymer LDI was ynthesized according to a previously described method. Zhang J, Beckman E J, Piesco N P, Agarwal S. A new peptide-based urethane polymer: synthesis, biodegradation, and potential to support cell growth in vitro. Biomaterials 2000; 21: 1247-1258. An injectable polyurethane scaffold for gene delivery was synthesized by a one-step injection reaction. In a typical experiment, PEG and APPG were sterilized by a 0.2 μm Millipore filter and mixed in a dry flask, subsequently, filter sterilized suspension of plasmid DNA containing the reporter gene LacZ or Runx2 was added into the mixture of PEG and APPG, mixed well, and labeled as solution I. Then, solution I and filter sterilized LDI (the molar rate of PEG:APPG:LDI=1:1:2.2) was added slowly into a design model with two syringes. A DNA plasmid-containing urethane polymer was obtained in 10 min.
  • 11
  • pIRESneo-Runx2 plasmid DNA [ No CAS ]
  • polyethylene glycol, PEG400 [ No CAS ]
  • O,O'-bis(2-aminopropyl)-polypropylene glycol 300 [ No CAS ]
  • [ 45172-15-4 ]
  • poly(lysine diisocyanate ethyl ester-co-glycerol-co-O,O'-bis(2-aminopropyl)-polypropylene glycol 300-co-Runx2 plasmid DNA) [ No CAS ]
YieldReaction ConditionsOperation in experiment
for 0.166667h; 3a Example 3; LDI/glycerol/DNA Polymer LDI was ynthesized according to a previously described method. Zhang J, Beckman E J, Piesco N P, Agarwal S. A new peptide-based urethane polymer: synthesis, biodegradation, and potential to support cell growth in vitro. Biomaterials 2000; 21: 1247-1258. An injectable polyurethane scaffold for gene delivery was synthesized by a one-step injection reaction. In a typical experiment, PEG and APPG were sterilized by a 0.2 μm Millipore filter and mixed in a dry flask, subsequently, filter sterilized suspension of plasmid DNA containing the reporter gene LacZ or Runx2 was added into the mixture of PEG and APPG, mixed well, and labeled as solution I. Then, solution I and filter sterilized LDI (the molar rate of PEG:APPG:LDI=1:1:2.2) was added slowly into a design model with two syringes. A DNA plasmid-containing urethane polymer was obtained in 10 min.
  • 12
  • α,ω-di(2-propoxyethanol)polydimethylsiloxane [ No CAS ]
  • [ 45172-15-4 ]
  • sorbitan monostearate [ No CAS ]
  • sugar ester silicone/urethane copolymer [ No CAS ]
YieldReaction ConditionsOperation in experiment
Stage #1: α,ω-di(2-propoxyethanol)polydimethylsiloxane; L-lysine ethyl ester diisocyanate In 2-methylundecane at 95℃; for 3h; Heating / reflux; Stage #2: sorbitan monostearate In 2-methylundecane at 95℃; for 10h; Stage #3: With ethanol In 2-methylundecane at 80℃; for 3h; 4 A suitable aliquot of neat siliconic polyol (same as in example 1) was loaded into a stainless steel reactor under stirring. The polyol was diluted with an aliquot of Isododecane and the reactor was flushed under nitrogen. The whole reaction was run under nitrogen. A suspension of a suitable aliquot of zinc stearate catalyst in isododecane was added through a dropping funnel. The dropping funnel was rinsed with an aliquot of isododecane which was then added to the reactor. A suitable aliquot of neat ethyl lysine diisocyanate was added to the reactor and the dropping funnel was rinsed with isododecane, which was then added to the reactor. The solution was heated at 95°C under reflux for 3 hours, and then mixed with a solution of a suitable aliquot of sorbitan monostearate in isododecane, which has been previously heated at 95°C for 30 minutes. After adding the sorbitan monostearate solution, the whole reaction was carried out for 10 hours at 95°C still under nitrogen reflux. The whole solution was then cooled at 70°C and a suitable aliquot of ethyl alcohol was added to terminate the reaction (to ensure the blocking of isocyanate groups statistically present at one or both ends of the polymer which were then transformed into ethyl urethane) and heated at 80°C for 3 hours. The absence of free NCO groups was checked by FTIR and the solution was cooled at 50°C and filtered through a stainless steel sieve. A cloudy solution of sugar ester silicone/urethane copolymer in isododecane was obtained, the viscosity of which was in the range of 3,200 - 4,200 mPa*s at a concentration of about 25-27% by weight. The molecular weight was 240.000 and 270.000. The solvent was removed under reduced pressure and a sticky sample of the crude polyurethane was obtained. The following Examples are examples of compositions according to the invention.
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