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 分子式: C₈H₁₄N₃O₆P 分子量: 279.19 EC番号: 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

概要

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

Specifications

同義語

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-

仕様と純度

10mM in Water

保管条件

Protected from light,Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

INHIBITOR

作用メカニズム

Human herpesvirus 1 DNA polymerase inhibitor

製品の性質

ALogP

-3.6

名前と識別子

パブケム・シド

528775670

カノニカル・スマイル

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

異性体SMILES

C1=CN(C(=O)N=C1N)C[C@@H](CO)OCP(=O)(O)O

分子量

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
    • 分類 Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 感度: Light sensitive；Moisture sensitive
• 分子量: 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