Home Cart Sign in  
Chemical Structure| 479353-63-4 Chemical Structure| 479353-63-4

Structure of 479353-63-4

Chemical Structure| 479353-63-4

*Storage: {[sel_prStorage]}

*Shipping: {[sel_prShipping]}

,{[proInfo.pro_purity]}

4.5 *For Research Use Only !

{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]} Purity: {[proInfo.pro_purity]}

Change View

Size Price VIP Price

US Stock

Global Stock

In Stock
{[ item.pr_size ]} Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate,item.pr_is_large_size_no_price, item.vip_usd) ]}

US Stock: ship in 0-1 business day
Global Stock: ship in 5-7 days

  • {[ item.pr_size ]}

In Stock

- +

Please Login or Create an Account to: See VIP prices and availability

US Stock: ship in 0-1 business day
Global Stock: ship in 2 weeks

  • 1-2 Day Shipping
  • High Quality
  • Technical Support
Product Citations

Alternative Products

Product Details of [ 479353-63-4 ]

CAS No. :479353-63-4
Formula : C17H24N2O4
M.W : 320.38
SMILES Code : C(=O)(OC(C)(C)C)N1CCN(CC1)CC2=CC=C(C=C2)C(=O)O
MDL No. :MFCD04974012
InChI Key :JGOFKAHLQQITIG-UHFFFAOYSA-N
Pubchem ID :2795516

Safety of [ 479353-63-4 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H332-H335
Precautionary Statements:P261-P280-P305+P351+P338

Computational Chemistry of [ 479353-63-4 ] Show Less

Physicochemical Properties

Num. heavy atoms 23
Num. arom. heavy atoms 6
Fraction Csp3 0.53
Num. rotatable bonds 6
Num. H-bond acceptors 5.0
Num. H-bond donors 1.0
Molar Refractivity 94.85
TPSA ?

Topological Polar Surface Area: Calculated from
Ertl P. et al. 2000 J. Med. Chem.

70.08 Ų

Lipophilicity

Log Po/w (iLOGP)?

iLOGP: in-house physics-based method implemented from
Daina A et al. 2014 J. Chem. Inf. Model.

3.14
Log Po/w (XLOGP3)?

XLOGP3: Atomistic and knowledge-based method calculated by
XLOGP program, version 3.2.2, courtesy of CCBG, Shanghai Institute of Organic Chemistry

-0.34
Log Po/w (WLOGP)?

WLOGP: Atomistic method implemented from
Wildman SA and Crippen GM. 1999 J. Chem. Inf. Model.

1.52
Log Po/w (MLOGP)?

MLOGP: Topological method implemented from
Moriguchi I. et al. 1992 Chem. Pharm. Bull.
Moriguchi I. et al. 1994 Chem. Pharm. Bull.
Lipinski PA. et al. 2001 Adv. Drug. Deliv. Rev.

1.78
Log Po/w (SILICOS-IT)?

SILICOS-IT: Hybrid fragmental/topological method calculated by
FILTER-IT program, version 1.0.2, courtesy of SILICOS-IT, http://www.silicos-it.com

1.51
Consensus Log Po/w?

Consensus Log Po/w: Average of all five predictions

1.52

Water Solubility

Log S (ESOL):?

ESOL: Topological method implemented from
Delaney JS. 2004 J. Chem. Inf. Model.

-1.41
Solubility 12.5 mg/ml ; 0.039 mol/l
Class?

Solubility class: Log S scale
Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly

Very soluble
Log S (Ali)?

Ali: Topological method implemented from
Ali J. et al. 2012 J. Chem. Inf. Model.

-0.67
Solubility 68.5 mg/ml ; 0.214 mol/l
Class?

Solubility class: Log S scale
Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly

Very soluble
Log S (SILICOS-IT)?

SILICOS-IT: Fragmental method calculated by
FILTER-IT program, version 1.0.2, courtesy of SILICOS-IT, http://www.silicos-it.com

-2.84
Solubility 0.467 mg/ml ; 0.00146 mol/l
Class?

Solubility class: Log S scale
Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly

Soluble

Pharmacokinetics

GI absorption?

Gatrointestinal absorption: according to the white of the BOILED-Egg

High
BBB permeant?

BBB permeation: according to the yolk of the BOILED-Egg

Yes
P-gp substrate?

P-glycoprotein substrate: SVM model built on 1033 molecules (training set)
and tested on 415 molecules (test set)
10-fold CV: ACC=0.72 / AUC=0.77
External: ACC=0.88 / AUC=0.94

Yes
CYP1A2 inhibitor?

Cytochrome P450 1A2 inhibitor: SVM model built on 9145 molecules (training set)
and tested on 3000 molecules (test set)
10-fold CV: ACC=0.83 / AUC=0.90
External: ACC=0.84 / AUC=0.91

No
CYP2C19 inhibitor?

Cytochrome P450 2C19 inhibitor: SVM model built on 9272 molecules (training set)
and tested on 3000 molecules (test set)
10-fold CV: ACC=0.80 / AUC=0.86
External: ACC=0.80 / AUC=0.87

No
CYP2C9 inhibitor?

Cytochrome P450 2C9 inhibitor: SVM model built on 5940 molecules (training set)
and tested on 2075 molecules (test set)
10-fold CV: ACC=0.78 / AUC=0.85
External: ACC=0.71 / AUC=0.81

No
CYP2D6 inhibitor?

Cytochrome P450 2D6 inhibitor: SVM model built on 3664 molecules (training set)
and tested on 1068 molecules (test set)
10-fold CV: ACC=0.79 / AUC=0.85
External: ACC=0.81 / AUC=0.87

No
CYP3A4 inhibitor?

Cytochrome P450 3A4 inhibitor: SVM model built on 7518 molecules (training set)
and tested on 2579 molecules (test set)
10-fold CV: ACC=0.77 / AUC=0.85
External: ACC=0.78 / AUC=0.86

No
Log Kp (skin permeation)?

Skin permeation: QSPR model implemented from
Potts RO and Guy RH. 1992 Pharm. Res.

-8.5 cm/s

Druglikeness

Lipinski?

Lipinski (Pfizer) filter: implemented from
Lipinski CA. et al. 2001 Adv. Drug Deliv. Rev.
MW ≤ 500
MLOGP ≤ 4.15
N or O ≤ 10
NH or OH ≤ 5

0.0
Ghose?

Ghose filter: implemented from
Ghose AK. et al. 1999 J. Comb. Chem.
160 ≤ MW ≤ 480
-0.4 ≤ WLOGP ≤ 5.6
40 ≤ MR ≤ 130
20 ≤ atoms ≤ 70

None
Veber?

Veber (GSK) filter: implemented from
Veber DF. et al. 2002 J. Med. Chem.
Rotatable bonds ≤ 10
TPSA ≤ 140

0.0
Egan?

Egan (Pharmacia) filter: implemented from
Egan WJ. et al. 2000 J. Med. Chem.
WLOGP ≤ 5.88
TPSA ≤ 131.6

0.0
Muegge?

Muegge (Bayer) filter: implemented from
Muegge I. et al. 2001 J. Med. Chem.
200 ≤ MW ≤ 600
-2 ≤ XLOGP ≤ 5
TPSA ≤ 150
Num. rings ≤ 7
Num. carbon > 4
Num. heteroatoms > 1
Num. rotatable bonds ≤ 15
H-bond acc. ≤ 10
H-bond don. ≤ 5

0.0
Bioavailability Score?

Abbott Bioavailability Score: Probability of F > 10% in rat
implemented from
Martin YC. 2005 J. Med. Chem.

0.55

Medicinal Chemistry

PAINS?

Pan Assay Interference Structures: implemented from
Baell JB. & Holloway GA. 2010 J. Med. Chem.

0.0 alert
Brenk?

Structural Alert: implemented from
Brenk R. et al. 2008 ChemMedChem

0.0 alert: heavy_metal
Leadlikeness?

Leadlikeness: implemented from
Teague SJ. 1999 Angew. Chem. Int. Ed.
250 ≤ MW ≤ 350
XLOGP ≤ 3.5
Num. rotatable bonds ≤ 7

No; 1 violation:MW<0.0
Synthetic accessibility?

Synthetic accessibility score: from 1 (very easy) to 10 (very difficult)
based on 1024 fragmental contributions (FP2) modulated by size and complexity penaties,
trained on 12'782'590 molecules and tested on 40 external molecules (r2 = 0.94)

2.41

Application In Synthesis of [ 479353-63-4 ]

* 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 [ 479353-63-4 ]

[ 479353-63-4 ] Synthesis Path-Downstream   1~19

  • 1
  • [ 914471-43-5 ]
  • [ 479353-63-4 ]
  • C27H27BrFN7O6 [ No CAS ]
YieldReaction ConditionsOperation in experiment
With pyridine; trichlorophosphate;dmap; at -15 - 100℃; for 0.08333330000000001h;Microwave; Example 51 tert-Butyl 4-{4-[({4-[(E,Z)-[(3-bromo-4-fluorophenyl)amino](hydroxyimino)methyl]-1,2,5-oxadiazol-3-yl}amino)carbonyl]benzyl}piperazine-1-carboxylate trifluoroacetate A solution of 3-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5(4H)-one (30 mg, 88 mumol), <strong>[479353-63-4]4-[4-(tert-butoxycarbonyl)piperazin-1-yl]methyl}benzoic acid</strong> (84 mg, 0.26 mmol), and 4-dimethylaminopyridine (6.4 mg, 53 mumol) in pyridine (0.75 mL) was treated with phosphoryl chloride (25 muL, 0.27 mmol) dropwise at -15 C. The reaction mixture was heated in a microwave at 100 C. for 5 min. The reaction mixture was concentrated to residue which was rediluted with methanol (1 mL), treated with 2.0 M sodium hydroxide in water (0.3 mL, 0.6 mmol), and stirred for 30 min. The reaction mixture was quenched with acetic acid (50 muL, 0.9 mmol), filtered, and purified by preparative LCMS to give the desired product (29 mg, 45%). LCMS for C26H30BrFN7O5 (M+H)+: m/z=618.0, 620.0.
  • 2
  • [ 479353-63-4 ]
  • [ 1414935-83-3 ]
  • [ 1414935-22-0 ]
YieldReaction ConditionsOperation in experiment
With 4-methyl-morpholine; 1,8-diazabicyclo[5.4.0]undec-7-ene; HATU; In N,N-dimethyl-formamide; at 75 - 90℃; for 4.5h; Example 2Preparation of 4-[4-(4-carbamoyl-2-pyridin-4-yl-thiazol-5-ylcarbamoyl)-benzyl]- piperazine-1 -carboxylic acid tert.-butyl ester ("A3")A mixture of 4-((4-tert.-butoxycarbonyl)piperazin-1 -yl)methyl)benzoic acid (300 mg, 0.936 mmol, 1 .0 equiv), 5-amino-2-(pyridin-4-yl)thiazole-4-carboxamide (206, 0.936, 1 .0 equiv), HATU (356 mg, 0.936 mmol, 1 .0 equiv) and N-methylmorpholine (106 muIota, 0.936 mmol, 1 .0 equiv) in dry DMF (8 ml) is heated at 75 C for 30 min. DBU (285 muIota, 1 .873 mmol, 2.0 equiv) is added and the mixture is stirred at 90 C for 4 h.The solvent is evaporated under vacuum, the residue redissolved in water (20 ml) and extracted with EtOAc (20 ml x 3 times), the organic phases are washed with brine, dried over Na2S04, filtered and evaporated. The residue is tritured with methanol, filtered and dried to afford the title compound as an off-white powder. HPLC Method: A- 0.1 % TFA in H20, B- 0.1 % TFA in ACN: Flow - 2.0ml/min.Column: X Bridge C8 (50x4.6mm.3.5 mu).
  • 3
  • [ 479353-63-4 ]
  • [ 1344034-04-3 ]
  • [ 1344034-06-5 ]
YieldReaction ConditionsOperation in experiment
48% With N-ethyl-N,N-diisopropylamine; HATU; In N,N-dimethyl-formamide; at 20℃; for 18.0h; Step 4) Preparation of tert-butyl 4-(4-(2-(2-chloropyridin-4-yl)-1H-benzo[d]imidazol-4-ylcarbamoyl)benzyl)piperazine-1-carboxylate [0365]2-(2-chloropyridin-4-yl)-1H-benzo[d]imidazol-4-amine (250 mg, 1.02 mmol), 4-(4-(tert-butoxycarbonyl)piperazin-1-yl)methyl)benzoic acid (360 mg, 1.12 mmol), and HATU (583 mg, 1.53 mmol) in DMF (10 mL) was added N,N?-diisopropylethylamine (0.5 mL, 3.06 mmol). The mixture was stirred 18 h at room temperature, diluted with water (40 mL), and extracted with CH2Cl2 (10 mL×3). The combined organics layers were washed with brine, dried and concentrated. The residue was purified by silica gel column chromatography (17% to 50% Ethyl acetate in petroleum ether) to obtain tert-butyl 4-(4-(2-(2-chloropyridin-4-yl)-1H-benzo[d]imidazol-4-ylcarbamoyl)benzyl)piperazine-1-carboxylate as a yellow solid (270 mg, 48% yield). MS (ESI) calcd for C29H31ClN6O3: 546. found: 547[M+H].
  • 4
  • [ 479353-63-4 ]
  • [ 1344034-09-8 ]
  • [ 1344034-11-2 ]
YieldReaction ConditionsOperation in experiment
53% With N-ethyl-N,N-diisopropylamine; HATU; In N,N-dimethyl-formamide; at 20℃; for 18.0h; Step 2) Preparation of tert-butyl 4-(4-(2-(2-(propylamino)pyridin-4-yl)-1H-benzo[d]imidazol-4-ylcarbamoyl)benzyl)piperazine-1-carboxylate [0373]2-(2-(propylamino)pyridin-4-yl)-1H-benzo[d]imidazol-4-amine (28 mg, 0.1 mmol), 4-(4-(tert-butoxycarbonyl)piperazin-1-yl)methyl)benzoic acid (20.2 mg, 0.13 mmol), and HATU (60 mg, 0.16 mmol) in DMF (5 mL) was added N,N?-diisopropylethylamine (0.05 mL, 0.31 mmol). The mixture was stirred 18 h at room temperature, diluted with water, and the resulting precipitate was collected by filtration and dried. The solid was purified by prep-TLC (6.25% MeOH in CH2Cl2) to obtain tert-butyl 4-(4-(2-(2-(propylamino)pyridin-4-yl)-1H-benzo[d]imidazol-4-ylcarbamoyl)benzyl)piperazine-1-carboxylate as a yellow solid (30 mg, 53% yield). MS (ESI) calcd for MS (ESI) calcd for C32H39N7O3: 569. found: 570 [M+H].
  • 5
  • [ 1571-08-0 ]
  • [ 479353-63-4 ]
  • 6
  • [ 57260-71-6 ]
  • [ 479353-63-4 ]
  • 7
  • tert-butyl 4-(4-(methoxycarbonyl)benzyl)piperazine-1-carboxylate [ No CAS ]
  • [ 479353-63-4 ]
YieldReaction ConditionsOperation in experiment
44.8% With lithium hydroxide monohydrate; In methanol; water; acetonitrile; at 20℃; for 1.0h; A mixture of compound 6a (7.0 g, crude, 21 mmol) and LiOH-H20 (1.4 g, 31 mmol) in methanol/acetonitrile/water (100 mL, 1 :2:2) was stirred 1 h at room temperature. The organic solvent was removed and the remaining aqueous solution was washed with ethyl acetate (100 mL) and then adjusted to pH=2-3 with 2N aqueous HC1. The resulting mixture was extracted with ethyl acetate (30 mL><2). The combined extracts were dried over anhydrous sodium sulfate and concentrated to afford compound 7a (3.0 g, 44.8%> yield) as a white solid.
3 g With lithium hydroxide monohydrate; water; In methanol; acetonitrile; at 20℃; for 1.0h; A mixture of compound 6a (7.0 g, crude, 21 mmol) and L1OH-H2O (1.4 g, 31 mmol) in methanol/acetonitrile/water (100 mL, 1 :2:2) was stirred 1 h at room temperature. The organic solvent was removed and the remaining aqueous solution was washed with ethyl acetate (100 mL) and then adjusted to pH=2-3 with 2N aqueous HC1. The resulting mixture was extracted with ethyl acetate (30 mL><2). The combined extracts were dried over anhydrous sodium sulfate and concentrated to afford compound 7a (3.0 g, 44.8% yield) as a white solid.
  • 8
  • [ 479353-63-4 ]
  • C38H40N8O3 [ No CAS ]
  • 9
  • [ 479353-63-4 ]
  • C33H32N8O [ No CAS ]
  • 10
  • [ 479353-63-4 ]
  • C20H18N6O [ No CAS ]
  • C37H40N8O4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
65.2% With N-ethyl-N,N-diisopropylamine; HATU; In N,N-dimethyl-formamide; at 0 - 20℃; for 0.25h; A mixture of compound 16 (Het=3-methylisoxazol-5-yl, 150 mg, 0.42 mmol), compound 7a (134 mg, 0.42 mmol) and HATU (159 mg, 0.42 mmol) in DMF (2 mL) was cooled to 0C and DIPEA (217 mg, 1.68 mmol) was added. The reaction mixture was allowed to warm to room temperature and stirred for 15 min. Saturated aqueous sodium bicarbonate was added and the resulting mixture was extracted with ethyl acetate. The combined extracts were dried over anhydrous sodium sulfate and concentrated. The residue was purified by flash column chromatography on silica gel (Petroleum ether/ethyl acetate = 1 : 1 to ethyl acetate) to afford compound Boc-806 (180 mg, 65.2% yield) as a solid. HCl/EtOAc (2N, 1 mL) was added to a solution of Boc-806 (97 mg, 0.147 mmol) in EtOAc (1 mL) at 0C with stirring. The reaction mixture was stirred for 1 h and the resulting precipitate was collected by filtration, washed with DCM and dried to afford compound 806 (HC1 salt, 80 mg, 100% yield) as a yellow solid.
65.2% With HATU; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 0 - 20℃; for 0.25h; A mixture of compound 16 (Het=3-methylisoxazol-5-yl, 150 mg, 0.42 mmol), compound 7a (134 mg, 0.42 mmol) and HATU (159 mg, 0.42 mmol) in DMF (2 mL) was cooled to 0C and DIPEA (217 mg, 1.68 mmol) was added. The reaction mixture was allowed to warm to room temperature and stirred for 15 min. Saturated aqueous sodium bicarbonate was added and the resulting mixture was extracted with ethyl acetate. The combined extracts were dried over anhydrous sodium sulfate and concentrated. The residue was purified by flash column chromatography on silica gel (Petroleum ether/ethyl acetate = 1 : 1 to ethyl acetate) to afford compound Boc-806 (180 mg, 65.2% yield) as a solid.
  • 11
  • [ 479353-63-4 ]
  • C20H18N6O [ No CAS ]
  • C32H32N8O2*(x)ClH [ No CAS ]
  • 12
  • [ 641615-42-1 ]
  • [ 479353-63-4 ]
  • tert-butyl 4-(4-(3-(4-(5-bromopyridin-3-yl)pyrimidin-2-ylamino)-4-methylphenylcarbamoyl)benzyl)piperazine-1-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
80% With N-ethyl-N,N-diisopropylamine; HATU; In N,N-dimethyl-formamide; at 0 - 20℃; for 0.25h; A mixture of compound 5 (1.0 g, 2.81 mmol), compound 7a (0.98 g, 4.19 mmol), HATU (1.28 g, 3.37mmol) in DMF (20 mL) was cooled to 0C and DIPEA (1.95 mL, 11.24 mmol) was added. The reaction mixture was allowed to warm to room temperature and stirred for 15 min. Saturated aqueous sodium bicarbonate (20 mL) was added and the resulting mixture was extracted with ethyl acetate (50 mL><2). The combined extracts were dried over anhydrous sodium sulfate and concentrated. The residue was purified by flash column chromatography on silica gel (petroleum ether/ethyl acetate = 3 : 1 to 1 : 1) to afford compound 8a (1.29 g, 80% yield) as a yellow solid.
80% With HATU; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 0 - 20℃; for 0.25h; A mixture of compound 5 (1.0 g, 2.81 mmol), compound 7a (0.98 g, 4.19 mmol), HATU (1.28 g, 3.37mmol) in DMF (20 mL) was cooled to 0C and DIPEA (1.95 mL, 11.24 mmol) was added. The reaction mixture was allowed to warm to room temperature and stirred for 15 min. Saturated aqueous sodium bicarbonate (20 mL) was added and the resulting mixture was extracted with ethyl acetate (50 mL><2). The combined extracts were dried over anhydrous sodium sulfate and concentrated. The residue was purified by flash column chromatography on silica gel (petroleum ether/ethyl acetate = 3 : 1 to 1 : 1) to afford compound 8a (1.29 g, 80% yield) as a yellow solid.
  • 13
  • [ 1642-81-5 ]
  • [ 57260-71-6 ]
  • [ 479353-63-4 ]
  • 14
  • [ 479353-63-4 ]
  • C33H36(18)FN7O3 [ No CAS ]
  • 15
  • [ 479353-63-4 ]
  • <SUP>18</SUP>F-fluoronorimatinib [ No CAS ]
  • 16
  • [ 479353-63-4 ]
  • 6-methyl-N<SUP>1</SUP>-(4-(6-nitropyridin-3-yl)pyrimidin-2-yl)benzene-1,3-diamine [ No CAS ]
  • tert-butyl 4-(4-((4-methyl-3-((4-(6-nitropyridin-3-yl)pyrimidin-2-yl)amino)phenyl)carbamoyl)benzyl)piperazine-1-carboxylate [ No CAS ]
  • 17
  • [ 479353-63-4 ]
  • C32H32N8O2*ClH [ No CAS ]
  • 18
  • [ 479353-63-4 ]
  • [ 152460-10-1 ]
  • tert-butyl 4-(4-((4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)phenyl)carbamoyl)benzyl)piperazine-1-carboxylate [ No CAS ]
  • 19
  • [ 479353-63-4 ]
  • [ 152460-10-1 ]
  • N-Desmethyl Imatinib [ No CAS ]
 

Historical Records

Technical Information

Categories

Related Functional Groups of
[ 479353-63-4 ]

Aryls

Chemical Structure| 210963-04-5

A158949 [210963-04-5]

4-(((tert-Butoxycarbonyl)(methyl)amino)methyl)benzoic acid

Similarity: 0.94

Chemical Structure| 117445-22-4

A106255 [117445-22-4]

3-(((tert-Butoxycarbonyl)amino)methyl)benzoic acid

Similarity: 0.88

Chemical Structure| 33233-67-9

A178848 [33233-67-9]

4-(((tert-Butoxycarbonyl)amino)methyl)benzoic acid

Similarity: 0.88

Chemical Structure| 180863-55-2

A241818 [180863-55-2]

Methyl 3-(((tert-butoxycarbonyl)amino)methyl)benzoate

Similarity: 0.84

Chemical Structure| 162046-66-4

A105156 [162046-66-4]

4-(4-(tert-Butoxycarbonyl)piperazin-1-yl)benzoic acid

Similarity: 0.84

Amides

Chemical Structure| 210963-04-5

A158949 [210963-04-5]

4-(((tert-Butoxycarbonyl)(methyl)amino)methyl)benzoic acid

Similarity: 0.94

Chemical Structure| 170097-67-3

A141712 [170097-67-3]

2-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid

Similarity: 0.90

Chemical Structure| 149353-95-7

A423126 [149353-95-7]

2-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid

Similarity: 0.90

Chemical Structure| 117445-22-4

A106255 [117445-22-4]

3-(((tert-Butoxycarbonyl)amino)methyl)benzoic acid

Similarity: 0.88

Chemical Structure| 33233-67-9

A178848 [33233-67-9]

4-(((tert-Butoxycarbonyl)amino)methyl)benzoic acid

Similarity: 0.88

Carboxylic Acids

Chemical Structure| 210963-04-5

A158949 [210963-04-5]

4-(((tert-Butoxycarbonyl)(methyl)amino)methyl)benzoic acid

Similarity: 0.94

Chemical Structure| 170097-67-3

A141712 [170097-67-3]

2-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid

Similarity: 0.90

Chemical Structure| 149353-95-7

A423126 [149353-95-7]

2-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid

Similarity: 0.90

Chemical Structure| 117445-22-4

A106255 [117445-22-4]

3-(((tert-Butoxycarbonyl)amino)methyl)benzoic acid

Similarity: 0.88

Chemical Structure| 33233-67-9

A178848 [33233-67-9]

4-(((tert-Butoxycarbonyl)amino)methyl)benzoic acid

Similarity: 0.88

Related Parent Nucleus of
[ 479353-63-4 ]

Piperazines

Chemical Structure| 162046-66-4

A105156 [162046-66-4]

4-(4-(tert-Butoxycarbonyl)piperazin-1-yl)benzoic acid

Similarity: 0.84

Chemical Structure| 57260-70-5

A817564 [57260-70-5]

tert-Butyl 4-benzylpiperazine-1-carboxylate

Similarity: 0.84

Chemical Structure| 78551-60-7

A113779 [78551-60-7]

tert-Butyl 4-benzyl-3-oxopiperazine-1-carboxylate

Similarity: 0.83

Chemical Structure| 350684-49-0

A137133 [350684-49-0]

tert-Butyl 4-(4-aminobenzoyl)piperazine-1-carboxylate

Similarity: 0.81

Chemical Structure| 128102-16-9

A220950 [128102-16-9]

(R)-4-Benzyl 1-Boc-2-methylpiperazine-4-carboxylate

Similarity: 0.79