| Identification | Back Directory | [Name]
emivirine | [CAS]
149950-60-7 | [Synonyms]
MKC 442
DRG0302
DRG-0302
DRG 0302
emivirine
6-benzyl-1-(ethoxymethyl)-5-isopropyluracil
1-(Ethoxymethyl)-6-benzyl-5-isopropyluracil
2,4(1H,3H)-Pyrimidinedione, 1-(ethoxymethyl)-5-(1-methylethyl)-6-(phenylmethyl)- | [Molecular Formula]
C17H22N2O3 | [MDL Number]
MFCD00922636 | [MOL File]
149950-60-7.mol | [Molecular Weight]
302.37 |
| Chemical Properties | Back Directory | [Melting point ]
109.1-110.7 °C(Solv: ethanol (64-17-5); water (7732-18-5)) | [density ]
1.133±0.06 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [form ]
Solid | [pka]
9.46±0.40(Predicted) | [color ]
White to off-white | [InChI]
InChI=1S/C17H22N2O3/c1-4-22-11-19-14(10-13-8-6-5-7-9-13)15(12(2)3)16(20)18-17(19)21/h5-9,12H,4,10-11H2,1-3H3,(H,18,20,21) | [InChIKey]
MLILORUFDVLTSP-UHFFFAOYSA-N | [SMILES]
C1(=O)N(COCC)C(CC2=CC=CC=C2)=C(C(C)C)C(=O)N1 |
| Hazard Information | Back Directory | [Uses]
Treatment
of HIV-1 infections (non-nucleoside reverse
transcriptase inhibitor). | [Definition]
ChEBI: A pyrimidone that is uracil which is substituted at positions 1, 5 and 6 by ethoxymethyl, isopropyl, and benzyl groups, respectively. A non-nucleoside inhibitor of HIV-1 reverse transcriptase, emivirine was an unsuccessful experimental agent for the treatm
nt of HIV. | [Brand name]
Coactinon (Mitsubishi Chemical
Corporation, Japan). | [Hazard]
Moderately toxic by ingestion. |
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