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Tezacitabine monohydrate , Ribonucleoside-diphosphate reductase RR1 inhibitor, CAS No.171176-43-5, Ribonucleoside-diphosphate reductase RR1 inhibitor
Basic Description
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
Action Type
INHIBITOR
Mechanism of action
Ribonucleoside-diphosphate reductase RR1 inhibitor
Taxonomic Classification
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.
Names and Identifiers
IUPAC Name
4-amino-1-[(2R,3E,4S,5R)-3-(fluoromethylidene)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;hydrate
INCHI
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
InChIKey
XPYQFIISZQCINN-QVXDJYSKSA-N
Smiles
C1=CN(C(=O)N=C1N)C2C(=CF)C(C(O2)CO)O.O
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=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
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