SML0536

Efavirenz

≥98% (HPLC)

• Synonym(s): Efavirenz, (4S)-6-Chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one
• Empirical Formula (Hill Notation): C₁₄H₉ClF₃NO₂
• CAS Number: 154598-52-4
• Molecular Weight: 315.67
• MDL number: MFCD05662344
• UNSPSC Code: 12352200
• PubChem Substance ID: 329825539
• NACRES: NA.77

Properties

• Quality Level: 100
• 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
• 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

Description

General description

Efavirenz, commercially known as Sustiva^™ is a polycyclic aromatic hydrocarbon with benzene and oxazinan-2-one chromophores.

Application

Efavirenz has been used:

• to assess its anti-porcine endogenous retrovirus (PERV) activity
• in cytotoxicity assay
• to investigate the solute-solvent effects of efavirenz by means combined time-dependent density functional theory (TD-DFT) and spectroscopic calculations

Biochem/physiol Actions

Efavirenz is a nonnucleoside reverse transcriptase inhibitor (NNRTI). It is an anti-HIV drug, commonly used in combination therapy for AIDs treatment. It is part of highly active antiretroviral therapy (HAART) for the treatment of a human immunodeficiency virus (HIV) type 1.

Features and Benefits

This compound is a featured product for ADME Tox research. Click here to discover more featured ADME Tox products. Learn more about bioactive small molecules for other areas of research at sigma.com/discover-bsm.

Legal Information

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

Safety Information

• Pictograms: GHS08,GHS07,GHS09
• Signal Word: Danger
• Hazard Statements: H302,H360,H410
• Precautionary Statements: P202 - P264 - P273 - P280 - P301 + P312 - P308 + P313
• Hazard Classifications: Acute Tox. 4 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Repr. 1B
• Storage Class Code: 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