Cidofovir - ≥98% , Human herpesvirus 1 DNA polymerase inhibitor, CAS No.113852-37-2, Human herpesvirus 1 DNA polymerase inhibitor

CAS: 113852-37-2 Cat. No.: C126447 Peso molecular: 279.19 Número EC: 638-807-0

GRADE & PURITY ≥98%

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

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Descripción general

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

Specifications

Sinónimos

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-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Mecanismo de acción

Human herpesvirus 1 DNA polymerase inhibitor

Pureza

≥98%

Propiedades del producto

• ALogP: -3.6

Nombres e identificadores

• Sonrisas canónicas: 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
• Isómeros SMILES: C1=CN(C(=O)N=C1N)C[C@@H](CO)OCP(=O)(O)O
• Peso molecular: 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
    • Clase Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: 25°C: DMSO <1 mg/mL; Water <1 mg/mL; Ethanol <1 mg/mL
• Sensibilidad: Light sensitive；Moisture sensitive
• Peso molecular: 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