Atomfair 4-[[1-[[1-[2-[(1-Benzylsulfanyl-1-oxo-3-phenylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid C31H38N4O7S CAS 9025-24-5

Description

4-[[1-[[1-[2-[(1-Benzylsulfanyl-1-oxo-3-phenylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid (CAS No. 9025-24-5) is a high-purity synthetic compound with the molecular formula C₃₁H₃₈N₄O₇S. This specialized chemical is designed for advanced research applications, particularly in enzymology and peptide synthesis. The compound features a complex structure incorporating a pyrrolidine core, benzylsulfanyl and phenylpropan-2-yl moieties, and a terminal carboxylic acid group, making it valuable for studying enzyme-substrate interactions and designing protease inhibitors. Available in various quantities, this product is rigorously tested for purity and consistency, ensuring reliable performance in sensitive experimental workflows. Store at recommended temperatures to maintain stability.

Properties

• CAS Number: 9025-24-5
• Complexity: 997
• IUPAC Name: 4-[[2-[[2-[2-[(1-benzyl-2-benzylsulfanyl-2-oxo-ethyl)carbamoyl]pyrrolidin-1-yl]-1-methyl-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]amino]-4-oxo-butanoic acid
• InChI: InChI=1S/C31H38N4O7S/c1-20(32-26(36)15-16-27(37)38)28(39)33-21(2)30(41)35-17-9-14-25(35)29(40)34-24(18-22-10-5-3-6-11-22)31(42)43-19-23-12-7-4-8-13-23/h3-8,10-13,20-21,24-25H,9,14-19H2,1-2H3,(H,32,36)(H,33,39)(H,34,40)(H,37,38)
• InChI Key: TWURVFFNODFJBJ-UHFFFAOYSA-N
• Exact Mass: 610.24612074
• Molecular Formula: C31H38N4O7S
• Molecular Weight: 610.7
• SMILES: CC(C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)SCC3=CC=CC=C3)NC(=O)CCC(=O)O
• Topological: 187
• Monoisotopic Mass: 610.24612074
• Physical Description: Colorless powder;
• Synonyms: Carboxypeptidase B, 9025-24-5, 4-[[1-[[1-[2-[(1-benzylsulfanyl-1-oxo-3-phenylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid, RECOMBINANT CARBOXYPEPTIDASE B, CARBOXYPEPTIDASEB, TWURVFFNODFJBJ-UHFFFAOYSA-N, DTXSID801009277, G90910, Carboxypeptidase B from porcine pancreas, lyophilized powder, Carboxypeptidase B from human pancreas, 50-55 units/mg protein carboxypeptidase B, 4-({1-[(1-{2-[{[1-(Benzylsulfanyl)-1-oxo-3-phenylpropan-2-yl]imino}(hydroxy)methyl]pyrrolidin-1-yl}-1-oxopropan-2-yl)imino]-1-hydroxypropan-2-yl}imino)-4-hydroxybutanoic acid

Application

This compound is primarily utilized in biochemical research as a substrate analog for studying carboxypeptidase B and related proteolytic enzymes. Its structure allows investigation of enzyme specificity and inhibition kinetics. Researchers also employ it in peptide modification studies and as a building block for synthesizing more complex bioactive molecules. The terminal carboxylic acid group enables conjugation to other molecules for probe development.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P233, P260, P261, P264, P264+P265, P271, P280, P284, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• Resp. Sens. 1 (100%)
• STOT SE 3 (100%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.