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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Efavirenz-d 5 (DMP 266-d5) is the deuterium labeled Efavirenz. Efavirenz (DMP 266) is a potent inhibitor of the wild-type HIV-1 reverse transcriptase with a Ki of 2.93 nM and exhibits an IC95 of 1.5 nM for the inhibition of HIV-1 replicative spread in cell culture. Efavirenz-d5 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
| Canonical Smiles | C1CC1C#CC2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F |
|---|---|
| IUPAC Name | (4S)-6-chloro-4-[2-(1,2,2,3,3-pentadeuteriocyclopropyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one |
| InChIKey | XPOQHMRABVBWPR-XWJABCKYSA-N |
| 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/i1D2,2D2,8D |
| Isomeric SMILES | [2H]C1(C(C1([2H])C#C[C@]2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F)([2H])[2H])[2H] |
| PubChem CID | 25224555 |
| Molecular Weight | 320.71 |
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