Antipain HCl

Base Information

• Chemical Name: Antipain HCl
• CAS No.: 37682-72-7
• Molecular Formula: C27H46Cl2N10O6
• Molecular Weight: 677.62
• Hs Code.: 2934999090
• European Community (EC) Number: 253-631-0,609-466-5
• Nikkaji Number: J20.228B
• Wikipedia: Antipain
• ChEMBL ID: CHEMBL1507158
• Mol file: 37682-72-7.mol

Synonyms:Antipain

Chemical Property of Antipain HCl

Chemical Property:

• Appearance/Colour: White to off-white powder.
• Refractive Index: 1.6500 (estimate)
• Boiling Point: 1020.2 °C at 760 mmHg
• Flash Point: 570.8 °C
• PSA: 277.50000
• Density: 1.2423 (rough estimate)
• LogP: 4.25060
• Storage Temp.: −20°C
• Solubility.: H2O: 50 mg/mL
• Water Solubility.: 0.01M in water
• XLogP3: -2.7
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 19
• Exact Mass: 604.34452916
• Heavy Atom Count: 43
• Complexity: 975

Purity/Quality:

98%,99%, ^*data from raw suppliers

Antipain dihydrochloride from microbial source protease inhibitor ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)C(C(=O)NC(CCCN=C(N)N)C=O)NC(=O)C(CCCN=C(N)N)NC(=O)NC(CC1=CC=CC=C1)C(=O)O
• Isomeric SMILES: CC(C)[C@@H](C(=O)NC(CCCN=C(N)N)C=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)NC(CC1=CC=CC=C1)C(=O)O
• Description: Antipain is a protease inhibitor originally isolated from actinomycetes. It inhibits thrombokinase, plasmin, trypsin, and papain in vitro (IC50s = 20, 93, 0.26, and 0.16 μg/ml, respectively). Antipain (6-600 μg/ml) inhibits the morphological transformation of and increases frequency of chromosomal aberrations in Syrian hamster embryo cells induced by N-methyl-N''-nitro-N-nitroso-guanidine (MNNG). In vivo, antipain (25-100 mg/kg) suppresses urethan-induced formation of cleft palates and cleft lips in mice.
• Uses: Concentrations for 50% inhibition (μg/ml): papain, 0.16trypsin, 0.26cathepsin A, 1.19cathepsin B, 0.59cathepsin D, 125plasmin, >93chymotrypsin and pepsin, >250It also has been reported to inhibit calpain I, (porcine) with Ki = 1.4 μM Antipain inhibits trypsin, papain, and catherpsins A and B (a reversible inhibitor of cysteine and serine proteases). It is used to evaluate the role of proteases in cell transformations. It is used to help identify new proteases.