3-[[[(2S,4S)-1-(4-Nitrobenzyloxycarbonyl)-4-mercaptopyrrolidin-2-yl]carbonyl]amino]benzoic Acid

Basic Information

View in Editor

CAS Number

202467-69-4

Molecular Formula

C20H19N3O7S

Molecular Weight

445.4 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Boiling Point

749.6°C at 760 mmHg

Density

1.5

Flash Point

407.1 °C

Refractive Index

1.675

SMILES

View in Editor

C1C(CN(C1C(=O)NC2=CC=CC(=C2)C(=O)O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C20H19N3O7S/c24-18(21-14-3-1-2-13(8-14)19(25)26)17-9-16(31)10-22(17)20(27)30-11-12-4-6-15(7-5-12)23(28)29/h1-8,16-17,31H,9-11H2,(H,21,24)(H,25,26)/t16-,17-/m0/s1

InChIKey

RTQKWWOSWDCUMA-IRXDYDNUSA-N

LogP

3.47510

Complexity

693

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

3-((2S,4S)-4-Mercapto-1-(((4-nitrobenzyl)oxy)carbonyl)pyrrolidine-2-carboxamido)benzoicacid
3-((2S,4S)-4-Mercapto-1-(((4-nitrobenzyl)oxy)carbonyl)pyrrolidine-2-carboxamido)benzoic acid
A814358
1-[(4-Nitrophenyl)methyl] (2S,4S)-2-[[(3-carboxyphenyl)amino]carbonyl]-4-mercapto-1-pyrrolidinecarboxylate
3-[[[(2S,4S)-4-Mercapto-2-pyrrolidinyl-1-(4-nitrobenzyloxy)carbonyl]carbonyl]amino]benzoic acid
DS-17903
3-((((2S,4S)-4-Mercapto-1-(4-nitrobenzyloxy)carbonyl-2-pyrrolidinyl)carbonyl)amino)benzoic acid
3-((2S,4S)-4-mercapto-1-((4-nitrobenzyloxy)carbonyl)pyrrolidine-2-carboxamido)benzoic acid
33DAX2G5P2
SCHEMBL4211429
AMY41240
3-[[[(2S,4S)-4-Mercapto-1-(4-nitrobenzyloxy)carbonyl-2-pyrrolidinyl]carbonyl]amino]benzoic acid
1-Pyrrolidinecarboxylic acid, 2-[[(3-carboxyphenyl)amino]carbonyl]-4-mercapto-, 1-[(4-nitrophenyl)methyl] ester, (2S-cis)-
3-[[[(2S,4S)-1-(4-Nitrobenzyloxycarbonyl)-4-mercaptopyrrolidin-2-yl]carbonyl]amino]benzoic Acid
202467-69-4
AKOS015889901
1-Pyrrolidinecarboxylic acid, 2-[[(3-carboxyphenyl)amino]carbonyl]-4-mercapto-, 1-[(4-nitrophenyl)methyl] ester, (2S,4S)-
3-[[(2S,4S)-1-[(4-nitrophenyl)methoxycarbonyl]-4-sulfanylpyrrolidine-2-carbonyl]amino]benzoic acid
RTQKWWOSWDCUMA-IRXDYDNUSA-N
3-(((2s,4s)-4-mercapto-1-(4-nitrobenzyloxy)carbonyl-2-pyrrolidine)carbonylamino)benzoic acid
C20H19N3O7S
DTXSID201110222
Q-101435
3-((2S,4S)-4-Mercapto-1-(((4-nitrobenzyl)oxy)-carbonyl)pyrrolidine-2-carboxamido)benzoic acid
3-[[[(2S, 4S)-4-mercapto-1-(4-nitrobenzyloxy)carbonyl-2-pyrrolidinyl]carbonyl]amino];3-[[[(2S, 4S)-4-MERCAPTO-1-TERT-BUTOXYCARBONYL-2-PYRROLIDINYL]CARBONYL]AMINO]BENZOIC ACID
3-[[[(2S,4S)-4-Mercapto-1-(4-nitrobenzyloxy)carbonyl-2-pyrrolidinyl]carbonyl]amino]benzoicacid
C73827
3-[[[(2s,4s)-4-mercapto-1-(4-nitrobenzyloxy)carbonyl-2-pyrrolidinyl]carbonyl]amino]benzoic acid
2-[[(3-carboxyphenyl)amino]carbonyl]-4-mercapto-1-pyrrolidinecarboxylic acid (2s-cis)-1-[(4-nitrophenyl)methyl] ester
Ertapenem
(2S,4S)-2-[[(3-carboxyphenyl)amino]carbonyl]-4-mercapto-1-(4-nitrobenzyl)pyrrolidinecarboxylate

MDL Number

MFCD09263754

Customs Code

2933990090

FAQ

What is 3-[[[(2S,4S)-1-(4-Nitrobenzyloxycarbonyl)-4-mercaptopyrrolidin-2-yl]carbonyl]amino]benzoic Acid (CAS: 202467-69-4)?

3-[[[(2S,4S)-1-(4-Nitrobenzyloxycarbonyl)-4-mercaptopyrrolidin-2-yl]carbonyl]amino]benzoic Acid is a complex organic compound used in pharmaceutical and research applications. It has a chemical formula of C23H24N2O4S and features a benzoic acid backbone with a 4-nitrobenzyloxycarbonyl protected thiol-containing pyrrolidine side chain.

What are the main uses of 3-[[[(2S,4S)-1-(4-Nitrobenzyloxycarbonyl)-4-mercaptopyrrolidin-2-yl]carbonyl]amino]benzoic Acid (CAS: 202467-69-4)?

This compound is primarily used in medicinal chemistry and drug discovery as a building block in the synthesis of new pharmaceuticals. It also serves as a research tool in the development of novel therapeutic agents, particularly in cancer and inflammatory disease research.

Is 3-[[[(2S,4S)-1-(4-Nitrobenzyloxycarbonyl)-4-mercaptopyrrolidin-2-yl]carbonyl]amino]benzoic Acid (CAS: 202467-69-4) safe?

While this compound is not inherently toxic, it should be handled with care due to its chemical structure. Exposure to the skin or eyes should be avoided. Proper protective equipment, such as gloves and goggles, should be used. Adequate ventilation is necessary during handling. It is advisable to consult a safety data sheet (SDS) for specific handling instructions and emergency procedures.

How should 3-[[[(2S,4S)-1-(4-Nitrobenzyloxycarbonyl)-4-mercaptopyrrolidin-2-yl]carbonyl]amino]benzoic Acid (CAS: 202467-69-4) be stored?

This compound should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a sealed container to prevent exposure to moisture. The storage temperature should be between 0°C and 25°C. Avoid storing it near incompatible substances such as strong acids, bases, or oxidizing agents. Ensure proper labeling and maintain a well-ventilated area for storage.