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rac Efavirenz-[d4]

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Category Human immunodeficiency Virus (HIV)
CAS 1246812-58-7
Description Rac Efavirenz-[d4] is an isotope compound of rac Efavirenz. Efavirenz is an NNRTI that prevents RNA plus-strand initiation with an IC50 value of 17 nM. Efavirenz also inhibits the late stages of HIV-1 replication by interfering with HIV-1 Gag-Pol polyprotein processing. It has been used in combination therapy with drugs directed at the treatment of opportunistic infections such as HIV and cancer.
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Product Information

Synonyms 6-Chloro-4-ro-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one; DMP 266-d4; L 743726-d4; Stocrin-d4; Sustiva-d4
IUPAC Name 6-chloro-4-[2-(2,2,3,3-tetradeuteriocyclopropyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
Molecular Weight 319.70
Molecular Formula C14H5D4ClF3NO2
Canonical SMILES C1CC1C#CC2(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)/i1D2,2D2
InChIKey XPOQHMRABVBWPR-LNLMKGTHSA-N
Boiling Point 340.6±42.0°C at 760 mmHg
Melting Point 174-176°C
Flash Point 159.8±27.9 °C
Purity >98%
Density 1.5±0.1 g/cm3
Solubility Soluble in Chloroform, Dichloromethane, DMSO, Ethyl Acetate, Methanol
Appearance White to Off-white Solid
Storage Store at-20°C
Index Of Refraction 1.581
In Vitro Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and Metabolic profiles of drugs.
Target Reverse Transcriptase; HIV; Autophagy
Vapor Pressure 0.0±0.7 mmHg at 25°C

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