Carbamic acid, (5-(2-deoxy-beta-D-erythro-pentofuranosyl)-1,4,5,6-tetrahydro-4-oxo-1,3,5-triazin-2-yl)-, heptyl ester , DNA disrupting agent, CAS No.815588-85-3, DNA disrupting agent

CAS: 815588-85-3 Cat. No.: C671212 Molecular Weight: 372.42 PubChem CID: 51003457

Synonyms

KP-1461 | CARBAMIC ACID, (5-(2-DEOXY-.BETA.-D-ERYTHRO-PENTOFURANOSYL)-1,4,5,6-TETRAHYDRO-4-OXO-1,3,5-TRIAZIN-2-YL)-, HEPTYL ESTER | C7-DHAdC | KP 1461 | Carbamic acid, N-[5-(2-deoxy-beta-D-erythro-pentofuranosyl)-3,4,5,6-tetrahydro-4-oxo-1,3,5-triazin-2-y

Storage

Room temperature

Specifications

Synonyms

KP-1461 | CARBAMIC ACID, (5-(2-DEOXY-.BETA.-D-ERYTHRO-PENTOFURANOSYL)-1, 4, 5, 6-TETRAHYDRO-4-OXO-1, 3, 5-TRIAZIN-2-YL)-, HEPTYL ESTER | C7-DHAdC | KP 1461 | Carbamic acid, N-[5-(2-deoxy-beta-D-erythro-pentofuranosyl)-3, 4, 5, 6-tetrahydro-4-oxo-1, 3, 5-triazin-2-y

Storage

Room temperature

Action Type

DISRUPTING AGENT

Mechanism of action

DNA disrupting agent

Product Properties

• ALogP: 1.5

Names and Identifiers

• Canonical Smiles: CCCCCCCOC(=O)NC1=NCN(C(=O)N1)C2CC(C(O2)CO)O
• IUPAC Name: heptyl N-[5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1,4-dihydro-1,3,5-triazin-2-yl]carbamate
• InChIKey: SZWIAFVYPPMZML-YNEHKIRRSA-N
• INCHI: 1S/C16H28N4O6/c1-2-3-4-5-6-7-25-16(24)19-14-17-10-20(15(23)18-14)13-8-11(22)12(9-21)26-13/h11-13,21-22H,2-10H2,1H3,(H2,17,18,19,23,24)/t11-,12+,13+/m0/s1
• Isomeric SMILES: CCCCCCCOC(=O)NC1=NCN(C(=O)N1)[C@H]2C[C@@H]([C@H](O2)CO)O
• PubChem CID: 51003457
• Molecular Weight: 372.42

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Monosaccharides
          • Level6 Pentoses

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Monosaccharides
• Direct Parent: Pentoses
• Alternative Parents: Triazinones 1,3,5-triazines Tetrahydrofurans Carbamate esters Ureas Secondary alcohols Guanidines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Carboximidamides Azacyclic compounds Primary alcohols Organopnictogen compounds Organic oxides Imines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pentose monosaccharide - Triazinone - 1,3,5-triazine - Triazine - Carbamic acid ester - Tetrahydrofuran - Urea - Secondary alcohol - Carbonic acid derivative - Guanidine - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organonitrogen compound - Imine - Carbonyl group - Alcohol - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms.
• 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

Mechanisms of Action