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Inhibitors/Agonists
Protein Tyrosine Kinase/RTK
TAM Receptor
CEP-40783
Inhibitors/Agonists
Protein Tyrosine Kinase/RTK
TAM Receptor

[ CAS No. 1437321-24-8 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 1437321-24-8
Chemical Structure| 1437321-24-8
Structure of 1437321-24-8 * Storage: {[proInfo.prStorage]}
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For Research Only 110K+ Compounds Competitive Price 1-2 Day Shipping

Quality Control of [ 1437321-24-8 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 1437321-24-8 ]

SDS Specification
Alternatived Products of [ 1437321-24-8 ]

Product Details of [ 1437321-24-8 ]

CAS No. :1437321-24-8 MDL No. :MFCD28502441
Formula : C31H26F2N4O6 Boiling Point : -
Linear Structure Formula :- InChI Key :FKCWHHYUMFGOPY-UHFFFAOYSA-N
M.W : 588.56 Pubchem ID :71576419
Synonyms :
RXDX-106
Chemical Name :N-(4-((6,7-Dimethoxyquinolin-4-yl)oxy)-3-fluorophenyl)-3-(4-fluorophenyl)-1-isopropyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide

Calculated chemistry of [ 1437321-24-8 ]

Physicochemical Properties

Num. heavy atoms : 43
Num. arom. heavy atoms : 28
Fraction Csp3 : 0.16
Num. rotatable bonds : 9
Num. H-bond acceptors : 9.0
Num. H-bond donors : 1.0
Molar Refractivity : 156.11
TPSA : 113.68 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -6.53 cm/s

Lipophilicity

Log Po/w (iLOGP) : 4.74
Log Po/w (XLOGP3) : 4.73
Log Po/w (WLOGP) : 6.12
Log Po/w (MLOGP) : 3.29
Log Po/w (SILICOS-IT) : 4.96
Consensus Log Po/w : 4.77

Druglikeness

Lipinski : 1.0
Ghose : None
Veber : 0.0
Egan : 1.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -6.36
Solubility : 0.000259 mg/ml ; 0.00000044 mol/l
Class : Poorly soluble
Log S (Ali) : -6.85
Solubility : 0.0000838 mg/ml ; 0.000000142 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -9.76
Solubility : 0.000000102 mg/ml ; 0.0000000002 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 3.0
Synthetic accessibility : 3.88

Safety of [ 1437321-24-8 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1437321-24-8 ]

* 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 [ 1437321-24-8 ]

[ 1437321-24-8 ] Synthesis Path-Downstream   1~1

YieldReaction ConditionsOperation in experiment
Stage #1: With N-ethyl-N,N-diisopropylamine; HATU In N,N-dimethyl-formamide at 20℃; for 0.25h; Stage #2: In N,N-dimethyl-formamide at 20℃; for 12h; 5 General procedure: Step b. N,N,N',N'-Tetramethyl-0-(7-azabenzotriazol-l-yl)uronium hexafluorophosphate (HATU) (0.072 g, 0.19 mmol) and l-ethyl-3-(4-fiuorophenyl)-2,4-dioxo-l,2,3,4- tetrahydropyrimidine-5-carboxylic acid (0.053 g,0.19 mmol) in N,N-dimethylformamide (2 mL) was added N,N-diisopropylethylamine (0.055 mL, 0.32 mmol). After 15 min stirring at rt, 4-(6,7-dimethoxyquinolin-4-yloxy)-3-fluorophenylamine (0.05 g, 0.2 mmol) was added. The reaction was stirred at rt for 12 h, diluted with EtOAc (25mL), then washed with IN Na2C03, water and brine and then dried over MgS04. The product was crystallized from MeOH to give 75 mg (68%) as a white solid, mp = 151-4 °C; LCMS m/z = 575 (M + 1); 1H NMR (DMSO) ?: 11.04 (s, 1H), 8.89 (s, 1H), 8.47 (d, 1H, J = 5.4 Hz), 7.98, 8.01 (dd, 1H, J = 2.3, 12.6 Hz), 7.52-7.56 (m, 2H), 7.33-7.46 (m, 6H), 6.47 (d, 1H, J = 5.4Hz), 4.01 (q, 2H, J = 7Hz), 3.98 (d, 6H), 13.0 (t, 3H, J = 7Hz).

Tags: 1437321-24-8 synthesis path| 1437321-24-8 SDS| 1437321-24-8 COA| 1437321-24-8 purity| 1437321-24-8 application| 1437321-24-8 NMR| 1437321-24-8 COA| 1437321-24-8 structure

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TAM Receptor
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