Emivirine

Emivirine

Names
Preferred IUPAC name 6-Benzyl-1-(ethoxymethyl)-5-(propan-2-yl)pyrimidine-2,4(1H,3H)-dione
Identifiers
CAS Number	149950-60-7  Y
3D model (JSmol)	Interactive image
ChEMBL	ChEMBL35033  N
ChemSpider	58529  N
PubChem CID	65013
UNII	X87G8IX72O  N
CompTox Dashboard (EPA)	DTXSID80164437
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) N Key: MLILORUFDVLTSP-UHFFFAOYSA-N N InChI=1/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) Key: MLILORUFDVLTSP-UHFFFAOYAG
SMILES CCOCN1C(=C(C(=O)NC1=O)C(C)C)CC2=CC=CC=C2
Properties
Chemical formula	C17H22N2O3
Molar mass	302.36818 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). N  verify  (what is  YN ?) Infobox references

Emivirine (MKC-442) is a failed experimental agent for the treatment of HIV. It is a non-nucleoside reverse transcriptase inhibitor. ^[1] While emivirine showed promising antiviral activity in vitro, it failed to show sufficient efficacy in human trials. However it is still notable as an early proof of concept, which led to the discovery of a number of related antiviral drugs. ^[2]

References

1. "Emivirine".
2. Calenbergh SV, Herdewijn P. A heterogeneous collection of novel antiviral pyrimidines. Expert Opinion on Therapeutic Patents 2000; 10(3):289-295. DOI:10.1517/13543776.10.3.289