Azvudine - ≥98% , Human immunodeficiency virus type 1 reverse transcriptase inhibitor, CAS No.1011529-10-4, Human immunodeficiency virus type 1 reverse transcriptase inhibitor

CAS: 1011529-10-4 Cat. No.: A648672 분자식: C₉H₁₁FN₆O₄ 분자량: 286.22 PubChem CID: 24769759

GRADE & PURITY ≥98%

Synonyms

RO-0622 | F86375 | 1011529-10-4 | 4'-C-azido-2'-deoxy-2'-fluoro-beta-D-arabinocytidine | 4-amino-1-[(2R,3S,4R,5R)-5-azido-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one | Azvudine | FNCRO-0622 | A848947 | DTXSID901027757 | AKOS040741284 |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Azvudine (FNC) is a potent nucleoside reverse transcriptase inhibitor (NRTI), with antiviral activity on HIV, HBV and HCV. Azvudine inhibits NRTI-resistant viral strains.

Specifications

동의어

RO-0622 | F86375 | 1011529-10-4 | 4'-C-azido-2'-deoxy-2'-fluoro-beta-D-arabinocytidine | 4-amino-1-[(2R,3S,4R,5R)-5-azido-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one | Azvudine | FNCRO-0622 | A848947 | DTXSID901027757 | AKOS040741284 |

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

Azvudine (RO-0622) is a potent nucleoside reverse transcriptase inhibitor (NRTI), with antiviral activity on HIV , HBV and HCV . Azvudine exerts highly potent inhibition on HIV-1 (EC 50 s ranging from 0.03 to 6.92 nM) and HIV-2 (EC 50 s ranging from 0.018

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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작업 유형

INHIBITOR

작동 메커니즘

Human immunodeficiency virus type 1 reverse transcriptase inhibitor

순수함

≥98%

제품 특성

ALogP

-0.8

이름과 식별자

Pubchem Sid

528763354

정식 스마일

C1=CN(C(=O)N=C1N)C2C(C(C(O2)(CO)N=[N+]=[N-])O)F

IUPAC Name

4-amino-1-[(2R,3S,4R,5R)-5-azido-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

InChIKey

KTOLOIKYVCHRJW-XZMZPDFPSA-N

INCHI

1S/C9H11FN6O4/c10-5-6(18)9(3-17,14-15-12)20-7(5)16-2-1-4(11)13-8(16)19/h1-2,5-7,17-18H,3H2,(H2,11,13,19)/t5-,6-,7+,9+/m0/s1

이성체 SMILES

C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@](O2)(CO)N=[N+]=[N-])O)F

대체 CAS

1011529-10-4

PubChem CID

24769759

MeSH 용어

2'-deoxy-2'-beta-fluoro-4'-azidocytidine;4'-azido-2'-deoxy-2'-fluorocytidine;4-amino-1-((2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-((imino-l,5-azanylidene)amino)tetrahydrofuran-2-yl)pyrimidin-2-one;4-amino-1-((2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(

분자량

286.22

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrimidones
• Alternative Parents: Aminopyrimidines and derivatives Primary aromatic amines Hydropyrimidines Imidolactams Oxolanes Heteroaromatic compounds Secondary alcohols Azo compounds Azo imides Fluorohydrins Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic zwitterions Organofluorides Organopnictogen compounds Primary alcohols Alkyl fluorides Organic salts Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyrimidine - Pyrimidone - Hydropyrimidine - Imidolactam - Primary aromatic amine - Heteroaromatic compound - Oxolane - Azo compound - Azo imide - Fluorohydrin - Halohydrin - Secondary alcohol - Oxacycle - Azacycle - Organic zwitterion - Primary amine - Primary alcohol - Alkyl fluoride - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Organic salt - Aromatic heteromonocyclic compound
• 설명: 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: 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

관련 대상(인간)

Homo sapiens (32628 Activities)

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MT2 (2907 Activities)

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MT4 (17854 Activities)

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HEK293 (82097 Activities)

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관련 대상(비인간)

Rattus norvegicus (775804 Activities)

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Hepatitis B virus (7925 Activities)

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Human immunodeficiency virus 1 (70413 Activities)

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Hepatitis C virus (23859 Activities)

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SARS-CoV-2 (38078 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 용해성: DMSO : 125 mg/mL (436.73 mM; Need ultrasonic)
• 분자량: 286.220 g/mol
• XLogP3: -0.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 286.083 Da
• Monoisotopic Mass: 286.083 Da
• Topological Polar Surface Area: 123.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 533.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 1
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1