Cidofovir - 10mM in Water , Human herpesvirus 1 DNA polymerase inhibitor, CAS No.113852-37-2, Human herpesvirus 1 DNA polymerase inhibitor

CAS: 113852-37-2 Cat. No.: C420692 Molecular Weight: 279.19 EC Number: 638-807-0

GRADE & PURITY 10mM in Water

Synonyms

Cidofovir [INN] | CIDOFOVIR [WHO-DD] | NCGC00184994-03 | Vistide | [1-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-propan-2-yl]oxymethylphosphonic acid | AKOS015854828 | BCP03734 | Forvade | NSC742135 | NSC-742135 | [(S)-2-(4-Amino-2-oxo-2H-pyrimidin-1-yl)-1-

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Cidofovir suppresses virus replication by selective inhibition of viral DNA synthesis.

Specifications

Synonyms

Cidofovir [INN] | CIDOFOVIR [WHO-DD] | NCGC00184994-03 | Vistide | [1-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-propan-2-yl]oxymethylphosphonic acid | AKOS015854828 | BCP03734 | Forvade | NSC742135 | NSC-742135 | [(S)-2-(4-Amino-2-oxo-2H-pyrimidin-1-yl)-1-

Specifications & Purity

10mM in Water

Storage

Protected from light, Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Action Type

INHIBITOR

Mechanism of action

Human herpesvirus 1 DNA polymerase inhibitor

Product Properties

• ALogP: -3.6

Names and Identifiers

• Canonical Smiles: C1=CN(C(=O)N=C1N)CC(CO)OCP(=O)(O)O
• IUPAC Name: [(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid
• InChIKey: VWFCHDSQECPREK-LURJTMIESA-N
• INCHI: 1S/C8H14N3O6P/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)/t6-/m0/s1
• Isomeric SMILES: C1=CN(C(=O)N=C1N)C[C@@H](CO)OCP(=O)(O)O
• Molecular Weight: 279.19
• Reaxy-Rn: 8331690
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8331690&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 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: pyrimidone - phosphonic acids

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；Moisture sensitive
• Molecular Weight: 279.190 g/mol
• XLogP3: -3.600
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 279.062 Da
• Monoisotopic Mass: 279.062 Da
• Topological Polar Surface Area: 146.000 Ų
• Heavy Atom Count: 18
• 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: 1