αvβ1 integrin-IN-1 - ≥99% , CAS No.1689540-62-2

CAS: 1689540-62-2 Cat. No.: V1428108 PubChem CID: 117978172

GRADE & PURITY ≥99%

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Overview

αvβ1 integrin-IN-1 (Compound C8) is a potent and selective αvβ1 integrin inhibitor with an IC 50 of 0.63 nM. Antifibrotic effects.

Specifications

Specifications & Purity

≥99%

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

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

Purity

≥99%

Names and Identifiers

• Canonical Smiles: C1CC(N(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NC(CC3=CC=C(C=C3)NC(=O)CCCCN=C(N)N)C(=O)O
• IUPAC Name: (2S)-2-[[(2S)-1-(benzenesulfonyl)pyrrolidine-2-carbonyl]amino]-3-[4-[5-(diaminomethylideneamino)pentanoylamino]phenyl]propanoic acid
• InChIKey: BLLLAUHTNAVSQR-VXKWHMMOSA-N
• INCHI: 1S/C26H34N6O6S/c27-26(28)29-15-5-4-10-23(33)30-19-13-11-18(12-14-19)17-21(25(35)36)31-24(34)22-9-6-16-32(22)39(37,38)20-7-2-1-3-8-20/h1-3,7-8,11-14,21-22H,4-6,9-10,15-17H2,(H,30,33)(H,31,34)(H,35,36)(H4,27,28,29)/t21-,22-/m0/s1
• Isomeric SMILES: C1C[C@H](N(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=C(C=C3)NC(=O)CCCCN=C(N)N)C(=O)O
• PubChem CID: 117978172

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 Proline and derivatives N-acyl-L-alpha-amino acids Alpha amino acid amides Benzenesulfonamides Amphetamines and derivatives Anilides Pyrrolidinecarboxamides N-arylamides Heterocyclic fatty acids N-acyl amines Sulfonyls Organosulfonic acids and derivatives Guanidines Monocarboxylic acids and derivatives Carboxylic acids Carboxylic acid amides Carboximidamides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Imines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-dipeptide - Phenylalanine or derivatives - Proline or derivatives - N-acyl-l-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Alpha-amino acid amide - Benzenesulfonamide - Amphetamine or derivatives - Alpha-amino acid or derivatives - Anilide - N-arylamide - Pyrrolidine-2-carboxamide - Pyrrolidine carboxylic acid or derivatives - Heterocyclic fatty acid - Fatty acyl - Fatty acid - Benzenoid - N-acyl-amine - Fatty amide - Monocyclic benzene moiety - Sulfonyl - Organosulfonic acid or derivatives - Pyrrolidine - Guanidine - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboximidamide - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Imine - Aromatic heteromonocyclic 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