Antipain dihydrochloride - ≥95% , CAS No.37682-72-7

CAS: 37682-72-7 Cat. No.: A338137 Molecular Weight: 677.62 EC Number: 609-466-5

GRADE & PURITY ≥95%

Synonyms

BDBM-32804 | BDBM32804 | BDBM 32804 | Antipain | Antipain 2HCl | N2-[[[(1S)-1-carboxy-2-phenylethyl]amino]carbonyl]-L-arginyl-N-[4-[(aminoiminomethyl)amino]-1-formylbutyl]-L-valinamide,dihydrochloride

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Antipain dihydrochloride is a protease inhibitor isolated from Actinomycetes. Antipain dihydrochloride inhibits N-methyl-N'-nitro-N-nitrosoguanidine (MNNG)-induced transformation and increases chromosomal aberrations. Antipain dihydrochloride restricts uterine DNA synthesis and function in mice.

Specifications

Synonyms

BDBM-32804 | BDBM32804 | BDBM 32804 | Antipain | Antipain 2HCl | N2-[[[(1S)-1-carboxy-2-phenylethyl]amino]carbonyl]-L-arginyl-N-[4-[(aminoiminomethyl)amino]-1-formylbutyl]-L-valinamide, dihydrochloride

Specifications & Purity

≥95%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Product Properties

• Ki Data: calpain I: Ki= 1.4 μM (porcine)

Names and Identifiers

• 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
• IUPAC Name: (2S)-2-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]carbamoylamino]-3-phenylpropanoic acid
• InChIKey: SDNYTAYICBFYFH-TUFLPTIASA-N
• INCHI: 1S/C27H44N10O6/c1-16(2)21(23(40)34-18(15-38)10-6-12-32-25(28)29)37-22(39)19(11-7-13-33-26(30)31)35-27(43)36-20(24(41)42)14-17-8-4-3-5-9-17/h3-5,8-9,15-16,18-21H,6-7,10-14H2,1-2H3,(H,34,40)(H,37,39)(H,41,42)(H4,28,29,32)(H4,30,31,33)(H2,35,36,43)/t18-,19-,20-,21-/m0/s1
• 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.Cl.Cl
• WGK Germany: 3
• RTECS: YV9350800
• Alternate CAS: 37691-11-5
• Molecular Weight: 677.62

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Dipeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Dipeptides
• Alternative Parents: Phenylalanine and derivatives N-acyl-alpha amino acids and derivatives N-carbamoyl-alpha amino acids Valine and derivatives Alpha amino acid amides Phenylpropanoic acids Amphetamines and derivatives N-acyl amines Guanidines Secondary carboxylic acid amides Ureas Monocarboxylic acids and derivatives Carboxylic acids Carboximidamides Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organic oxides Aldehydes Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-dipeptide - Phenylalanine or derivatives - N-carbamoyl-alpha-amino acid - N-carbamoyl-alpha-amino acid or derivatives - N-acyl-alpha amino acid or derivatives - Valine or derivatives - Alpha-amino acid amide - 3-phenylpropanoic-acid - N-substituted-alpha-amino acid - Amphetamine or derivatives - Alpha-amino acid or derivatives - Fatty acyl - Fatty amide - Benzenoid - N-acyl-amine - Monocyclic benzene moiety - Carboxamide group - Guanidine - Urea - Secondary carboxylic acid amide - Carbonic acid derivative - Organic 1,3-dipolar compound - Carboxylic acid - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Monocarboxylic acid or derivatives - Organic nitrogen compound - Aldehyde - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

Papain (844 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Molecular Weight: 604.700 g/mol
• XLogP3: -2.700
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 19
• Exact Mass: 604.345 Da
• Monoisotopic Mass: 604.345 Da
• Topological Polar Surface Area: 283.000 Ų
• Heavy Atom Count: 43
• Formal Charge: 0
• Complexity: 975.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1