Tezacitabine monohydrate , Ribonucleoside-diphosphate reductase RR1 inhibitor, CAS No.171176-43-5, Ribonucleoside-diphosphate reductase RR1 inhibitor

CAS: 171176-43-5 Cat. No.: T671065 Molecular Weight: 275.23

Synonyms

Tezacitabine monohydrate | Tezacitabine [USAN:INN] | Mdl 101,731 | Q27291019 | Tezacitabine [USAN] | CHEMBL3989496 | 2'-Deoxy-2'-((E)-fluoromethylene)cytidine monohydrate | SCHEMBL8294060 | FMD-C | Tezacitabine (USAN) | D06100 | UNII-UCC4EQS7WL | FMdC | S

Storage

Room temperature

Specifications

Synonyms

Tezacitabine monohydrate | Tezacitabine [USAN:INN] | Mdl 101, 731 | Q27291019 | Tezacitabine [USAN] | CHEMBL3989496 | 2'-Deoxy-2'-((E)-fluoromethylene)cytidine monohydrate | SCHEMBL8294060 | FMD-C | Tezacitabine (USAN) | D06100 | UNII-UCC4EQS7WL | FMdC | S

Storage

Room temperature

Action Type

INHIBITOR

Mechanism of action

Ribonucleoside-diphosphate reductase RR1 inhibitor

Names and Identifiers

• Canonical Smiles: C1=CN(C(=O)N=C1N)C2C(=CF)C(C(O2)CO)O.O
• IUPAC Name: 4-amino-1-[(2R,3E,4S,5R)-3-(fluoromethylidene)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;hydrate
• InChIKey: XPYQFIISZQCINN-QVXDJYSKSA-N
• INCHI: 1S/C10H12FN3O4.H2O/c11-3-5-8(16)6(4-15)18-9(5)14-2-1-7(12)13-10(14)17;/h1-3,6,8-9,15-16H,4H2,(H2,12,13,17);1H2/b5-3+;/t6-,8+,9-;/m1./s1
• Isomeric SMILES: C1=CN(C(=O)N=C1N)[C@H]2/C(=C/F)/[C@@H]([C@H](O2)CO)O.O
• Molecular Weight: 275.23
• Reaxy-Rn: 14927637
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14927637&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrimidones
• Alternative Parents: Aminopyrimidines and derivatives Imidolactams Hydropyrimidines Oxolanes Heteroaromatic compounds Secondary alcohols Vinyl fluorides Oxacyclic compounds Fluoroalkenes Azacyclic compounds Primary amines Primary alcohols Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyrimidine - Pyrimidone - Hydropyrimidine - Imidolactam - Oxolane - Heteroaromatic compound - Secondary alcohol - Oxacycle - Vinyl fluoride - Vinyl halide - Azacycle - Haloalkene - Fluoroalkene - Hydrocarbon derivative - Primary amine - Primary alcohol - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Alcohol - Amine - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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