Carboxypeptidase G2 (CPG2) Inhibitor

Base Information

• Chemical Name: Carboxypeptidase G2 (CPG2) Inhibitor
• CAS No.: 192203-60-4
• Molecular Formula: C13H15NO6S
• Molecular Weight: 313.33
• DSSTox Substance ID: DTXSID50430878
• Nikkaji Number: J1.090.783G
• Wikidata: Q72518014
• ChEMBL ID: CHEMBL175115
• Mol file: 192203-60-4.mol

Synonyms:Carboxypeptidase G2 (CPG2) Inhibitor;192203-60-4;Carboxypeptidase G2 Inhibitor;CPG2 Inhibitor;N-[[(4-Methoxyphenyl)thio]carbonyl]-L-glutamic acid;(2S)-2-[(4-methoxyphenyl)sulfanylcarbonylamino]pentanedioic acid;CarboxypeptidaseG2Inhibitor;CHEMBL175115;DTXSID50430878;CS-0824;HY-70003;MS-24576;A15035;F84852;N-[(4-Methoxyphenylthio)carbonyl]-L-glutamic acid

Chemical Property of Carboxypeptidase G2 (CPG2) Inhibitor

Chemical Property:

• PKA: 3.41±0.10(Predicted)
• PSA: 141.72000
• Density: 1.43
• LogP: 2.01930
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 313.06200837
• Heavy Atom Count: 21
• Complexity: 381

Purity/Quality:

98%Min ^*data from raw suppliers

CarboxypeptidaseG2(CPG2)Inhibitor >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)SC(=O)NC(CCC(=O)O)C(=O)O
• Isomeric SMILES: COC1=CC=C(C=C1)SC(=O)N[C@@H](CCC(=O)O)C(=O)O

Technology Process of Carboxypeptidase G2 (CPG2) Inhibitor

There total 6 articles about Carboxypeptidase G2 (CPG2) Inhibitor which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

2-(4-methoxy-phenylsulfanylcarbonylamino)-pentanedioic acid di-tert-butyl ester → (S)-2-(4-Methoxy-phenylsulfanylcarbonylamino)-pentanedioic acid (192203-60-4)

Guidance literature:

With hydrogenchloride; In dichloromethane; Ambient temperature;

DOI:10.1021/jm990004i

Reference yield:

2-(4-methoxy-phenylsulfanylcarbonylamino)-pentanedioic acid di-tert-butyl ester → (R)-2-(4-Methoxy-phenylsulfanylcarbonylamino)-pentanedioic acid (192203-60-4)

Guidance literature:

With hydrogenchloride; In dichloromethane; Ambient temperature;

DOI:10.1021/jm990004i

Reference yield:

4-Methoxybenzenethiol (696-63-9) → (R)-2-(4-Methoxy-phenylsulfanylcarbonylamino)-pentanedioic acid (192203-60-4)

Guidance literature:

Multi-step reaction with 2 steps

1: Et₃N / CH₂Cl₂ / 1.) reflux, 10 min, 2.) RT, 5 h

2: HCl gas / CH₂Cl₂ / Ambient temperature

With hydrogenchloride; triethylamine; In dichloromethane;

DOI:10.1021/jm990004i

upstream raw materials:

4-Methoxybenzenethiol

L-glutamic acid di-tert-butyl ester hydrochloride

di-tert-butyl <<(4-nitrophenyl)oxy>carbonyl>-L-glutamate

Refernces