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Efavirenz

CAT: 0013-GTR19174944-08Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19174944-08Size:1 g
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Description
Efavirenz is a non-nucleoside reverse transcriptase inhibitor (NNRTI) used in HIV-1 research. It potently inhibits viral replication in vitro and is widely employed to study antiretroviral mechanisms, drug resistance, and complex cytochrome P450-mediated metabolic interactions.
CAS Number
154598-52-4
Product Name Alternative
EFV, Efavirenz, L743726, L-743726, HIVProtease, HIV-1 RT, HIV Protease, HIV, Inhibitor, Human immunodeficiency virus, L 743726, inhibit, Autophagy, DMP 266, DMP266, DMP-266, ReverseTranscriptase, Reverse Transcriptase, Stocrin, Sustiva
Field of Research
Cell Biology, Infectious Disease & Virology, Metabolism Research, Pharmacology & Drug Discovery, Protein Biochemistry
Purity
99.20% (May vary between batches)
Solubility
Methanol:10 mM; H2O:< 1 mg/mL (insoluble or slightly soluble) ; DMSO:250 mg/mL (791.97 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (6.34 mM)
Smiles
C (#CC1CC1) [C@@]2 (C (F) (F) F) C=3C (NC (=O) O2) =CC=C (Cl) C3
Molecular Formula
C14H9ClF3NO2
Molecular Weight
315.67
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Efavirenz

Efavirenz is 1,4-Dihydro-2H-3,1-benzoxazin-2-one substituted at the 4 position by cyclopropylethynyl and trifluoromethyl groups (S configuration) and at the 6 position by chlorine. A non-nucleoside reverse transcriptase inhibitor with activity against HIV, it is used with other antiretrovirals for combination therapy of HIV infection. It has a role as an antiviral drug and a HIV-1 reverse transcriptase inhibitor. It is an organochlorine compound, an organofluorine compound, a benzoxazine, a member of cyclopropanes and an acetylenic compound.

CAS Number154598-52-4
PubChem CID64139
IUPAC Name(4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
Molecular FormulaC14H9ClF3NO2
Molecular Weight315.67
XLogP4
Topological Polar Surface Area38.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity519
SMILES
C1CC1C#C[C@]2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F
InChI
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
InChIKey
XPOQHMRABVBWPR-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of Efavirenz
CAS: 154598-52-4
CID: 64139
Formula: C14H9ClF3NO2
MW: 315.67
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight315.67
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass315.0273907
Monoisotopic Mass315.0273907
Topological Polar Surface Area38.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity519
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
FC30275-01Efavirenz

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