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SML0536 Sigma-Aldrich

Efavirenz

≥98% (HPLC)

Synonym: (4S)-6-Chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one, Efavirenz

  • CAS Number 154598-52-4

  • Empirical Formula (Hill Notation) C14H9ClF3NO2

  • Molecular Weight 315.67

  •  MDL number MFCD05662344

  •  PubChem Substance ID 329825539

  •  NACRES NA.77

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Properties

Related Categories AIDS and Viral Research Reagents, Bioactive Small Molecule Alphabetical Index, Bioactive Small Molecules, Cell Biology, Cell Signaling and Neuroscience,
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

Packaging

10, 50 mg in glass bottle

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.

This compound is also offered as part of Sigma′s Library of Pharmacologically Active Compounds (LOPAC®1280), a biologically annotated collection of high-quality, ready-to-screen compounds. Click here to learn more.

Legal Information

LOPAC is a registered trademark of Sigma-Aldrich Co. LLC

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

Safety & Documentation

Safety Information

Signal word 
Danger
Hazard statements 
RIDADR 
UN 3077 9 / PGIII
WGK Germany 
WGK 3
Flash Point(F) 
Not applicable
Flash Point(C) 
Not applicable

Documents

Certificate of Analysis (COA)

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Protocols & Articles

Articles

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Peer-Reviewed Papers
15

References

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