2′-Fluoro-2′-deoxycytidine - ≥98%(T) , CAS No.10212-20-1

CAS: 10212-20-1 Cat. No.: F119524 Peso molecular: 245.21 Número EC: 190-339-1

GRADE & PURITY ≥98%(T)

Synonyms

4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one | AS-59691 | SMR001233493 | 2'-Deoxy-2'-fluorocytidine | 2'deoxy-2'-fluorocytidine | 2-Deoxy-2-fluorocytidine | AKOS015854842 | UNII-LCY080JPY9 | .beta.-D-2'-Deoxy-2'

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

application：

2'-Fluoro-2'-deoxycytidine is a potent inhibitor of the subgenomic hepatitis C virus replicon in Huh-7 cells. 2'-Fluoro-2'-deoxycytidine has been shown to inhibit Borna Disease virus replication and spread.

Specifications

Sinónimos

4-amino-1-[(2R, 3R, 4R, 5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one | AS-59691 | SMR001233493 | 2'-Deoxy-2'-fluorocytidine | 2'deoxy-2'-fluorocytidine | 2-Deoxy-2-fluorocytidine | AKOS015854842 | UNII-LCY080JPY9 | .beta.-D-2'-Deoxy-2'

Especificaciones y pureza

≥98%(T)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

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

Pureza

≥98%(T)

Nombres e identificadores

• Sonrisas canónicas: C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)F
• IUPAC Name: 4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
• InChIKey: NVZFZMCNALTPBY-XVFCMESISA-N
• INCHI: 1S/C9H12FN3O4/c10-6-7(15)4(3-14)17-8(6)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6-,7-,8-/m1/s1
• Isómeros SMILES: C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)F
• WGK Alemania: 3
• Peso molecular: 245.21
• Reaxy-Rn: 24724908
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24724908&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Clase Pyrimidine nucleosides
      • Subclass Pyrimidine 2'-deoxyribonucleosides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Clase: Pyrimidine nucleosides
• Subclass: Pyrimidine 2'-deoxyribonucleosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrimidine 2'-deoxyribonucleosides
• Alternative Parents: Pyrimidones Aminopyrimidines and derivatives Hydropyrimidines Imidolactams Tetrahydrofurans Heteroaromatic compounds Secondary alcohols Fluorohydrins Azacyclic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Organofluorides Organopnictogen compounds Primary alcohols Primary amines Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidine 2'-deoxyribonucleoside - Aminopyrimidine - Pyrimidone - Hydropyrimidine - Pyrimidine - Imidolactam - Heteroaromatic compound - Tetrahydrofuran - Fluorohydrin - Halohydrin - Secondary alcohol - Organoheterocyclic compound - Azacycle - Oxacycle - Alkyl halide - Organopnictogen compound - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Alkyl fluoride - Alcohol - Organic nitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrimidine 2'-deoxyribonucleosides. These are compounds consisting of a pyrimidine linked to a ribose which lacks a hydroxyl group at position 2.
• 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.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (humanos)

DCK Tchem Deoxycytidine kinase (530 Activities)

Discover Target: DCK

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MT4 (17854 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

POLRMT Tbio DNA-directed RNA polymerase, mitochondrial (57 Activities)

Discover Target: POLRMT

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

POLG Tchem DNA polymerase subunit gamma-1/gamma-2 (16 Activities)

Discover Target: POLG

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Cda Cytidine deaminase (37 Activities)

Discover Target: Cda

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Hepatitis C virus (23859 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Measles morbillivirus (693 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO, Methanol.
• Rotación específica [α]: 80° (C=1,MeOH)
• Punto de fusión (°C): 167°C(lit.)
• Peso molecular: 245.210 g/mol
• XLogP3: -1.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 245.081 Da
• Monoisotopic Mass: 245.081 Da
• Topological Polar Surface Area: 108.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 386.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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