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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:
分子量:
315.67
UNSPSC Code:
12352200
PubChem Substance ID:
NACRES:
NA.77
MDL number:
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产品名称

依法韦伦, ≥98% (HPLC)

Quality Level

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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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

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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)
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)
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)

商品

Bioactive small molecules for immune system signaling target identification/validation and antibiotics, antivirals, and antifungals offered.

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