3-[(1-{[1-(2-{[1-(benzylsulfanyl)-1-oxo-3-phenylpropan-2-yl]carbamoyl}pyrrolidin-1-yl)-1-oxopropan-2-yl]carbamoyl}ethyl)carbamoyl]propanoic acid

• ChemBase ID: 133694
• Molecular Formular: C31H38N4O7S
• Molecular Mass: 610.72102
• Monoisotopic Mass: 610.24612058
• SMILES: CC(C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)SCc1ccccc1)NC(=O)CCC(=O)O
• Canonical SMILES: O=C(NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)SCc1ccccc1)Cc1ccccc1)C)C)CCC(=O)O
• 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)
• InChIKey: TWURVFFNODFJBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(1-{[1-(2-{[1-(benzylsulfanyl)-1-oxo-3-phenylpropan-2-yl]carbamoyl}pyrrolidin-1-yl)-1-oxopropan-2-yl]carbamoyl}ethyl)carbamoyl]propanoic acid
• IUPAC Traditional name: 3-[(1-{[1-(2-{[1-(benzylsulfanyl)-1-oxo-3-phenylpropan-2-yl]carbamoyl}pyrrolidin-1-yl)-1-oxopropan-2-yl]carbamoyl}ethyl)carbamoyl]propanoic acid
• Synonyms: Protaminase, AEBSF treated; Carboxypeptidase B, AEBSF treated from hog pancreas; Peptidyl-L-lysine(L-arginine) hydrolase; Protaminase; Carboxypeptidase B from porcine pancreas; Peptidyl-L-Lysine[L-arginine] hydrolase; Carboxypeptidase B from human pancreas

Database IDs

• CAS Number: 9025-24-5
• EC Number: 232-788-9
• MDL Number: MFCD00081476
• PubChem SID: 24892769; 162227971; 24893175
• PubChem CID: 3289209
• Enzyme Commission Number: 3.4.17.2 ( BRENDA; IUBMB )

CALCULATED PROPERTIES

• Acid pKa: 4.0904903
• H Acceptors: 7
• H Donor: 4
• LogD (pH = 5.5): 0.4828298
• LogD (pH = 7.4): -1.1992533
• Log P: 1.9056517
• Molar Refractivity: 160.7613 cm^3
• Polarizability: 62.773174 Å^3
• Polar Surface Area: 161.98 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: lyophilized powder; white powder

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 1; 3
• Risk Statements: 36/37/38-42
• Safety Statements: 22-24-26-36/37
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H315-H319-H334-H335
• GHS Precautionary statements: P261-P305 + P351 + P338-P342 + P311
• Personal Protective Equipment: Eyeshields, Gloves
• Storage Temperature: -20°C

Pharmacology Properties

• Gene Information: human ... CPB1(1360)

Product Information

• Activity: ≥125 units/mg protein
• Compostion: Protein, 40-70%
• Impurities: <0.2% chymotrypsin; <0.2% trypsin; <1 unit/mg protein carboxypeptidase A
• Foreign Activity: carboxypeptidase A ≤1%; chymotrypsin ≤0.1%; chymotrypsin ≤1%; trypsin ≤1%; trypsin ≤2%
• Purified By: affinity chromatography
• Shipped in: dry ice

DETAILS

Sigma Aldrich - C9584

Analysis Note
Protein determined by biuret.
包装
Package size based on protein content
Preparation Note
Treated with protease inhibitor, AEBSF, to eliminate serine protease activity.
Unit Definition
One unit will hydrolyze 1.0 μmole of hippuryl-L-arginine per min at pH 7.65 at 25 °C.
Physical form
Contains HEPES buffer salts and carbohydrate
Application
Carboxypeptidase B has been used in a study to develop a non-invasive pregnancy assay for use in both captive and wild polar bears. Carboxypeptidase B has been used in a study that identified new potential biomarkers of acute pancreatitis.

Sigma Aldrich - C5233

Unit Definition
One unit will hydrolyze 1 μmole of hippuryl-L-arginine per minute at pH 7.7 at 25 °C
Physical form
Solution in 0.05 M NaOAc pH 5.0 + 1.0 M NaCl + 0.01% NaN3

Sigma Aldrich - 22443

General description
treated with AEBSF to eliminate serine protease activities
Unit Definition
1 U corresponds to the amount of enzyme which hydrolyzes 1 μmol hippuryl-L-arginine per minute at pH 7.65 and 25°C