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SML0536

Sigma-Aldrich

依法韦伦

≥98% (HPLC)

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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About This Item

经验公式（希尔记法）:
C14H9ClF3NO2
CAS号:
154598-52-4
分子量:
315.67
MDL编号:
MFCD05662344
UNSPSC代码:
12352200
PubChem化学物质编号:
329825539
NACRES:
NA.77

质量水平

100

方案

≥98% (HPLC)

表单

powder

旋光性

[α]/D -90 to -100°, c = 1 in methanol

颜色

white to beige

溶解性

DMSO: 15 mg/mL, clear

储存温度

−20°C

SMILES字符串

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

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一般描述

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。

应用

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

生化/生理作用

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。

特点和优势

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。

法律信息

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

警示用语：

Danger

危险声明

H302,H360,H410

危险分类

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

储存分类代码

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

WGK

WGK 3

闪点(°F)

Not applicable

闪点(°C)

Not applicable

历史批次信息供参考:

分析证书(COA)

Lot/Batch Number
0000340755
0000340755
0000235199
0000235199
0000147782

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A combined TD-DFT and spectroscopic investigation of the solute?solvent interactions of efavirenz.
Jordaan M A, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy, 157, 204-210 (2016)
L B Avery et al.
Antimicrobial agents and chemotherapy, 57(3), 1409-1414 (2013-01-09)
Efavirenz (EFV) is one of the most commonly prescribed antiretroviral drugs (ARVs) for the treatment of HIV. Highly protein-bound drugs, like EFV, have limited central nervous system (CNS) penetration when measured using total drug concentration gradients between blood plasma (BP)
Rochelle P Walensky et al.
Annals of internal medicine, 158(2), 84-92 (2013-01-16)
U.S. HIV treatment guidelines recommend branded once-daily, 1-pill efavirenz-emtricitabine-tenofovir as first-line antiretroviral therapy (ART). With the anticipated approval of generic efavirenz in the United States, a once-daily, 3-pill alternative (generic efavirenz, generic lamivudine, and tenofovir) will decrease cost but may
Lawrence S U Lee et al.
Annals of the Academy of Medicine, Singapore, 41(12), 559-562 (2013-01-11)
Efavirenz is an inducer of drug metabolism enzymes. We studied the effect of efavirenz and ritonavir-boosted darunavir on serum unconjugated and conjugated bilirubin, as probes for UGT1A1 and bile transporters. Healthy volunteers were enrolled in a clinical trial. There were
"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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