Cidofovir dihydrate - Moligand™,≥99% , CAS No.149394-66-1

CAS: 149394-66-1 Cat. No.: P694056 Molecular Weight: 315.22 EC Number: 814-987-8

GRADE & PURITY Moligand™, ≥99%

Synonyms

P-[[(1S)-2-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy]methyl]phosphonic acid hydrate (1:2) | Cidofovir | Cidofovir dihydrate | [(2S)-1-(4-Amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid dihydrate | (S)-(((1-(4-Amino

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Cidofovir (GS 0504; HPMPC; (S)-HPMPC) dihydrate is an acyclic monophosphate nucleotide analog, a CMV inhibitor, and possesses antiviral activity. Cidofovir dihydrate inhibits the replication of cytomegalovirus (CMV) by selectively inhibiting viral DNA polymerase. It can induce apoptosis and is used in the treatment of cytomegalovirus retinitis, herpes, and cancer research. Cidofovir dihydrate also exhibits anti-orthopoxvirus and anti-variola virus activity.

Specifications

Synonyms

P-[[(1S)-2-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy]methyl]phosphonic acid hydrate (1:2) | Cidofovir | Cidofovir dihydrate | [(2S)-1-(4-Amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid dihydrate | (S)-(((1-(4-Amino

Specifications & Purity

Moligand™, ≥99%

Storage

Protected from light, Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥99%

Names and Identifiers

• Canonical Smiles: C1=CN(C(=O)N=C1N)CC(CO)OCP(=O)(O)O.O.O
• IUPAC Name: [(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid;dihydrate
• InChIKey: FPKARFMSZDBYQF-ILKKLZGPSA-N
• INCHI: 1S/C8H14N3O6P.2H2O/c9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16;;/h1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16);2*1H2/t6-;;/m0../s1
• Isomeric SMILES: C1=CN(C(=O)N=C1N)C[C@@H](CO)OCP(=O)(O)O.O.O
• Alternate CAS: 149394-66-1；113852-37-2; 127749-27-3
• MeSH Entry Terms: 1-((3-hydroxy-2-phosphonylmethoxy)propyl)cytosine;1-(3-hydroxy-2-phosphonylmethoxypropyl)cytosine;cidofovir;cidofovir anhydrous;cidofovir sodium;cidofovir, (+-)-isomer;cidofovir, (R)-isomer;cidofovir, sodium salt;GS 504;GS-504;GS504;HPMPC;Vistide
• Molecular Weight: 315.22

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 Organic phosphonic acids Heteroaromatic compounds Azacyclic compounds Primary amines Primary alcohols Organopnictogen compounds Organophosphorus compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyrimidine - Pyrimidone - Hydropyrimidine - Imidolactam - Organophosphonic acid - Organophosphonic acid derivative - Heteroaromatic compound - Azacycle - Organic oxide - Organopnictogen compound - Primary amine - Primary alcohol - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - 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: hydrate

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

Chemical and Physical Properties

• Sensitivity: light sensitive；air sensitive；heat sensitive
• Molecular Weight: 315.220 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 315.083 Da
• Monoisotopic Mass: 315.083 Da
• Topological Polar Surface Area: 148.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 417.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

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