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Merck
CN

SML0536

依法韦伦

≥98% (HPLC), nonnucleoside reverse transcriptase inhibitor (NNRTI), powder

别名:

依法韦伦, (4S)-6-氯-4-（2-环丙基乙炔基）-1,4-二氢-4-（三氟甲基）-2H-3,1-苯并恶嗪-2-酮

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关于此项目

经验公式（希尔记法）:
C14H9ClF3NO2
化学文摘社编号:
154598-52-4
分子量:
315.67
UNSPSC Code:
12352200
PubChem Substance ID:
329825539
NACRES:
NA.77
MDL number:
MFCD05662344
Assay:
≥98% (HPLC)
Form:
powder
Quality level:
100

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产品名称

依法韦伦, ≥98% (HPLC)

Quality Level

100

SMILES string

ClC1=CC=C2C([C@@](C#CC3CC3)(C(F)(F)F)OC(N2)=O)=C1

InChI

1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1

InChI key

XPOQHMRABVBWPR-ZDUSSCGKSA-N

assay

≥98% (HPLC)

form

powder

optical activity

[α]/D -90 to -100°, c = 1 in methanol

color

white to beige

solubility

DMSO: 15 mg/mL, clear

storage temp.

−20°C

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相关类别

Application

依法韦仑已用于：
  • 评估其抗猪内源性逆转录病毒（PERV）活性
  • 细胞毒性检测
  • 通过结合时间密度泛函理论（TD-DFT）和光谱计算的方法，研究依法韦仑的溶质-溶剂效应

Biochem/physiol Actions

依法韦仑是一种非核苷类逆转录酶抑制剂（NNRTI）。它是一种抗HIV药物，常用于AIDs治疗的联合疗法。它是用于治疗人类免疫缺陷病毒（HIV）1型的高效抗逆转录病毒疗法（HAART）的一部分。
依法韦仑是一种非核苷类逆转录酶抑制剂（NNRTI）；抗逆转录病毒。

Features and Benefits

这种化合物是 ADME 毒性研究的特色产品。点击此处发现更多特色 ADME 毒性产品。在sigma.com/discover-bsm可了解更多关于生物活性小分子的其他研究领域。

General description

具有Sustiva™商品名的依法韦仑是一种含有苯和恶嗪-2-酮发色团的多环芳烃。

Legal Information

Sustiva is a trademark of E. I. du Pont de Nemours and Company

signalword

Danger

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Repr. 1B

存储类别

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

历史批次信息供参考:

分析证书(COA)

Lot/Batch Number
0000471382
0000471382
0000340755
0000340755
0000235199

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Pietro Vernazza et al.
Journal of acquired immune deficiency syndromes (1999), 62(2), 171-179 (2013-01-19)
A 96-week clinical study was planned to estimate the antiviral activity and safety of lersivirine in treatment-naive HIV-1-infected patients. This ongoing international, multicenter, double-blind, randomized, Phase IIb exploratory study evaluates the efficacy and safety of 2 doses of lersivirine or
Kyle W Anderson et al.
The Journal of biological chemistry, 291(22), 11876-11886 (2016-04-09)
Cytochrome P450 46A1 (CYP46A1) is a microsomal enzyme and cholesterol 24-hydroxylase that controls cholesterol elimination from the brain. This P450 is also a potential target for Alzheimer disease because it can be activated pharmacologically by some marketed drugs, as exemplified
Jürgen K Rockstroh et al.
Journal of acquired immune deficiency syndromes (1999), 63(1), 77-85 (2013-02-16)
STARTMRK, a phase III noninferiority trial of raltegravir-based versus efavirenz-based therapy in treatment-naive patients, remained blinded until its conclusion at 5 years. We now report the final study results. Previously untreated patients without baseline resistance to efavirenz, tenofovir, or emtricitabine
Michael M Lübtow et al.
Biomacromolecules, 20(8), 3041-3056 (2019-07-19)
Despite decades of research, our understanding of the molecular interactions between drugs and polymers in drug-loaded polymer micelles does not extend much beyond concepts such as "like-dissolves-like" or hydrophilic/hydrophobic. However, polymer-drug compatibility strongly affects formulation properties and therefore the translation
"Efavirenz Inhibits the Human Ether-A-Go-Go Related Current (hERG) and Induces QT Interval Prolongation in CYP2B6* 6* 6 Allele Carriers.
Abdelhady A M, et al.
Journal of Cardiovascular Electrophysiology, 27(10), 1206-1213 (2016)
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