Dexelvucitabine - ≥99% , Human immunodeficiency virus type 1 reverse transcriptase inhibitor, CAS No.134379-77-4, Human immunodeficiency virus type 1 reverse transcriptase inhibitor

CAS: 134379-77-4 Cat. No.: D650133 분자식: C₉H₁₀FN₃O₃ 분자량: 227.19

GRADE & PURITY ≥99%

Synonyms

2',3'-Dideoxy-2',3'-didehydro-beta-L-5-fluorocytidine | INCB-8721 | KU8SPJ271W | CYTIDINE, 2',3'-DIDEHYDRO-2',3'-DIDEOXY-5-FLUORO | Cytidine, 2',3'-didehydro-2',3'-dideoxy-5-fluoro- | 4-amino-5-fluoro-1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyr

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Dexelvucitabine (Reverset; d-d4FC), a Cytidine analog, is an orally active nucleoside reverse transcriptase inhibitor. Dexelvucitabine is a powerful agent against HIV-1-resistant viruses containing a thymidine analog and/or M184V mutation in the viral polymerase. Dexelvucitabine is a 2′-Deoxycytidine antiretroviral agent

In Vivo

Dexelvucitabine (Reverset; d-d4FC; 33.3 mg/kg by i.v. or p.o.) has distribution and elimination half-lives (t 1/2α and t 1/2β , respectively) of 0.7 and 3.6 h in monkeys, respectively. The C max ranges from 21.1 to 47.5 μM. Dexelvucitabine has a favorable pharmacokinetic profile with a long half-life (4.71 and 10.75 h after administration by the intravenous [i.v.] and oral [p.o.] routes, respectively) in woodchucks. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:HIV-1

Specifications

동의어

2',3'-Dideoxy-2',3'-didehydro-beta-L-5-fluorocytidine | INCB-8721 | KU8SPJ271W | CYTIDINE, 2',3'-DIDEHYDRO-2',3'-DIDEOXY-5-FLUORO | Cytidine, 2',3'-didehydro-2',3'-dideoxy-5-fluoro- | 4-amino-5-fluoro-1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyr

사양 및 순도

≥99%

생화학 및 생리적 메커니즘

Dexelvucitabine (Reverset; d-d4FC), a Cytidine ( HY-B0158 ) analog, is an orally active nucleoside reverse transcriptase inhibitor. Dexelvucitabine is a powerful agent against HIV-1-resistant viruses containing a thymidine analog and/or M184V mutation in

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

≥99%

제품 특성

ALogP

-1.3

이름과 식별자

정식 스마일

C1=CC(OC1CO)N2C=C(C(=NC2=O)N)F

IUPAC Name

4-amino-5-fluoro-1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one

InChIKey

HSBKFSPNDWWPSL-CAHLUQPWSA-N

INCHI

1S/C9H10FN3O3/c10-6-3-13(9(15)12-8(6)11)7-2-1-5(4-14)16-7/h1-3,5,7,14H,4H2,(H2,11,12,15)/t5-,7+/m0/s1

이성체 SMILES

C1=C[C@@H](O[C@@H]1CO)N2C=C(C(=NC2=O)N)F

대체 CAS

134379-77-4

MeSH 용어

2',3'-dideoxy-2',3'-didehydro-5-fluorocytidine;2',3'-dideoxy-2',3'-didehydro-beta-D-5-fluorocytidine;2',3'-dideoxy-2',3'-didehydro-beta-L-5-fluorocytidine;2(1H)-Pyrimidinone, 4-amino-1-((2S,5R)-2,5-dihydro-5-(hydroxymethyl)-2-furanyl)-5-fluoro-;4-amino-5-

분자량

227.19

Reaxy-Rn

24713405

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24713405&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • 분류 Nucleoside and nucleotide analogues

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• 분류: Nucleoside and nucleotide analogues
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Nucleoside and nucleotide analogues
• Alternative Parents: Pyrimidones Aminopyrimidines and derivatives Halopyrimidines Aryl fluorides Hydropyrimidines Imidolactams Heteroaromatic compounds Dihydrofurans Azacyclic compounds Oxacyclic compounds Organic oxides Primary amines Hydrocarbon derivatives Primary alcohols Organofluorides Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyrimidine - Halopyrimidine - Pyrimidone - Aryl fluoride - Aryl halide - Hydropyrimidine - Pyrimidine - Imidolactam - Dihydrofuran - Heteroaromatic compound - Oxacycle - Azacycle - Organoheterocyclic compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Primary amine - Amine - Organic nitrogen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as nucleoside and nucleotide analogues. These are analogues of nucleosides and nucleotides. These include phosphonated nucleosides, C-glycosylated nucleoside bases, analogues where the sugar unit is a pyranose, and carbocyclic nucleosides, among others.
• 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)

CCRF-CEM (65223 Activities)

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DLD-1 (17511 Activities)

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MCF7 (126967 Activities)

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MT2 (2907 Activities)

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PC-3 (62116 Activities)

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SK-MEL-28 (48833 Activities)

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SK-MES-1 (413 Activities)

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HepG2 (196354 Activities)

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LNCaP (8286 Activities)

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HeLa (62764 Activities)

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관련 대상(비인간)

Hepatitis B virus (7925 Activities)

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Human immunodeficiency virus 1 (70413 Activities)

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Human immunodeficiency virus (3636 Activities)

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B16 (5829 Activities)

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Rat1 (211 Activities)

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Vero (26788 Activities)

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9L (76 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 용해성: DMSO : 50 mg/mL (220.08 mM; Need ultrasonic)
• 분자량: 227.190 g/mol
• XLogP3: -1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 227.071 Da
• Monoisotopic Mass: 227.071 Da
• Topological Polar Surface Area: 88.200 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 405.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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