ST7612AA1 , CAS No.1428535-92-5

CAS: 1428535-92-5 Cat. No.: S777665 Molecular Weight: 405.51

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Specifications

Biochemical and Physiological Mechanisms

ST7612AA1 is a histone deacetylase (HDAC) inhibitor that controls chromatin condensation and DNA transcription by removing acetyl groups from histones. ST7612AA1 is also a potent HIV reactivation inducer, and its reactivation activity is exerted without a

Storage

Room temperature

Shipped In

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Names and Identifiers

• Canonical Smiles: CC(=O)SCCCCCC(C(=O)NC1=CC=CC=C1)NC(=O)C2CCC(=O)N2
• IUPAC Name: S-[(6S)-7-anilino-7-oxo-6-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]heptyl] ethanethioate
• InChIKey: QGYPCQAYENIOOF-DLBZAZTESA-N
• INCHI: 1S/C20H27N3O4S/c1-14(24)28-13-7-3-6-10-16(19(26)21-15-8-4-2-5-9-15)23-20(27)17-11-12-18(25)22-17/h2,4-5,8-9,16-17H,3,6-7,10-13H2,1H3,(H,21,26)(H,22,25)(H,23,27)/t16-,17+/m0/s1
• Isomeric SMILES: CC(=O)SCCCCC[C@@H](C(=O)NC1=CC=CC=C1)NC(=O)[C@H]2CCC(=O)N2
• Molecular Weight: 405.51

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: N-acyl-alpha amino acids and derivatives Proline and derivatives Alpha amino acid amides Anilides Pyrrolidinecarboxamides N-arylamides Fatty amides Pyrrolidine-2-ones Secondary carboxylic acid amides Lactams Thioesters Carbothioic S-esters Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-dipeptide - N-acyl-alpha amino acid or derivatives - Proline or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Anilide - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - N-arylamide - Monocyclic benzene moiety - Fatty amide - Pyrrolidone - 2-pyrrolidone - Fatty acyl - Benzenoid - Pyrrolidine - Carbothioic s-ester - Thiocarboxylic acid ester - Carboxamide group - Lactam - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Thiocarboxylic acid or derivatives - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organopnictogen compound - 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