(S)-DRF-1042 - Moligand™ , Inhibitor of DNA topoisomerase I, CAS No.S613508, Inhibitor of DNA topoisomerase I

CAS: S613508 Cat. No.: S613508 PubChem CID: 91623363

GRADE & PURITY Moligand™

Synonyms

5(S)-(2'-hydroxyethoxy)-20(S)-camptothecin;5(S)-(2'-hydroxyethoxy)-20(S)-CPT

Storage

Room temperature

Specifications

Synonyms

5(S)-(2'-hydroxyethoxy)-20(S)-camptothecin;5(S)-(2'-hydroxyethoxy)-20(S)-CPT

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of DNA topoisomerase I

Names and Identifiers

• Canonical Smiles: OCCO[C@H]1c2cc3ccccc3nc2c2n1c(=O)c1c(c2)C[C@@](C(=O)O1)(O)CC
• InChIKey: UPAYPYZHFCRCMO-UNMCSNQZSA-N
• INCHI: 1S/C22H20N2O6/c1-2-22(28)11-13-10-16-17-14(9-12-5-3-4-6-15(12)23-17)20(29-8-7-25)24(16)19(26)18(13)30-21(22)27/h3-6,9-10,20,25,28H,2,7-8,11H2,1H3/t20-,22-/m0/s1
• Isomeric SMILES: CC[C@@]1(CC2=C(C(=O)N3[C@H](C4=CC5=CC=CC=C5N=C4C3=C2)OCCO)OC1=O)O
• PubChem CID: 91623363

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyranopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyranopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyranopyridines
• Alternative Parents: Quinolines and derivatives Pyridinones Benzenoids Tertiary alcohols Heteroaromatic compounds Carboxylic acid esters Lactams Lactones Azacyclic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organonitrogen compounds Primary alcohols Organic oxides Carbonyl compounds Organic anions
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyranopyridine - Quinoline - Pyridinone - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary alcohol - Carboxylic acid ester - Lactam - Lactone - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - Organic anion - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyranopyridines. These are polycyclic aromatic compounds containing a pyran ring fused to a pyridine ring.
• 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(Human)

TOP1 Tclin DNA topoisomerase 1 (0 Activities)

Discover Target: TOP1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)