Dihydrochlamydocin analog-1 , CAS No.157618-75-2

CAS: 157618-75-2 Cat. No.: D1426399 Molecular Weight: 528.64 PubChem CID: 10392191

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Dihydrochlamydocin analog-1 (compound 2) is a Chlamydocin analogue that inhibits histone H4 peptide deacetylation with IC 50 of 30 nM.

Specifications

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.

Action Type

INHIBITOR

Names and Identifiers

• Canonical Smiles: CC(C(=O)CCCCCC1C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)N1)CC3=CC=CC=C3)(C)C)O
• IUPAC Name: (3S,9S,12R)-3-benzyl-9-[(7R)-7-hydroxy-6-oxooctyl]-6,6-dimethyl-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
• InChIKey: UXOLDMJAFJDQSE-RYFAJOAYSA-N
• INCHI: 1S/C28H40N4O6/c1-18(33)23(34)15-9-5-8-13-20-24(35)31-28(2,3)27(38)30-21(17-19-11-6-4-7-12-19)26(37)32-16-10-14-22(32)25(36)29-20/h4,6-7,11-12,18,20-22,33H,5,8-10,13-17H2,1-3H3,(H,29,36)(H,30,38)(H,31,35)/t18-,20+,21+,22-/m1/s1
• Isomeric SMILES: C[C@H](C(=O)CCCCC[C@H]1C(=O)NC(C(=O)N[C@H](C(=O)N2CCC[C@@H]2C(=O)N1)CC3=CC=CC=C3)(C)C)O
• PubChem CID: 10392191
• Molecular Weight: 528.64

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 Oligopeptides

• 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: Oligopeptides
• Alternative Parents: Cyclic peptides Macrolactams Alpha amino acids and derivatives Acyloins Benzene and substituted derivatives Monosaccharides Alpha-hydroxy ketones Tertiary carboxylic acid amides Pyrrolidines Secondary alcohols Lactams Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-oligopeptide - Cyclic alpha peptide - Macrolactam - Alpha-amino acid or derivatives - Acyloin - Monosaccharide - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Pyrrolidine - Alpha-hydroxy ketone - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Ketone - Lactam - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
• 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