Ethyl-4-hydroxy-2-(methylthio)pyrimidine-5-carboxylate

CAS: 53554-29-3

Ref. 3D-FE32818

Product Information

• Name: Ethyl-4-hydroxy-2-(methylthio)pyrimidine-5-carboxylate
• Synonyms: 1,4-Dihydro-2-(Methylthio)-4-Oxo-5-Pyrimidine-Carboxylate Acid Ethyl Ester, 1,4-Dihydro-2-(methylthio)-4-oxo-5-pyrimidinecarboxylic acid ethyl ester, 2-Methylmercapto-4-hydroxy-5-carbethoxypyrimidine, 4-Hydroxy-2-(methylsulfanyl)pyrimidine-5-carboxylic acid ethyl ester, 4-Hydroxy-2-methylthiopyrimidine-5-carboxylic acid ethyl ester, 5-Pyrimidinecarboxylic Acid, 4-Hydroxy-2-(Methylthio)-, Ethyl Ester, 5-Pyrimidinecarboxylic acid, 1,4-dihydro-2-(methylthio)-4-oxo-, ethyl ester, 5-Pyrimidinecarboxylic acid, 1,6-dihydro-2-(methylthio)-6-oxo-, ethyl ester, Ethyl 1,6-dihydro-2-(methylthio)-6-oxo-5-pyrimidinecarboxylate, Ethyl 2-(methylsulfanyl)-6-oxo-1,6-dihydropyrimidine-5-carboxylate, Ethyl 2S-methyl-4-hydroxypyrimidine-5-carboxylate, Ethyl 4-Hydroxy-2-(Methylthio)Pyrimidine-5-Carboxylate, Ethyl 4-hydroxy-2-(methylsulfanyl)pyrimidine-5-carboxylate, NSC 104155, NSC 43816

Description

Ethyl-4-hydroxy-2-(methylthio)pyrimidine-5-carboxylate (E138K) is a potent inhibitor of HIV-1 reverse transcriptase and HIV protease. The mutant E138K mutant of the compound has been shown to be more potent than wild type in inhibiting both enzymes. Molecular docking analysis has shown that the binding site for this compound is located in the active site of HIV protease, which is responsible for cleaving peptides and polypeptides. This compound may be useful as part of a combination therapy to treat HIV infection.

• Brand: Biosynth

Chemical properties

• Molecular weight: 214.24 g/mol
• Formula: C₈H₁₀N₂O₃S
• Purity: Min. 95%
• InChI: InChI=1S/C8H10N2O3S/c1-3-13-7(12)5-4-9-8(14-2)10-6(5)11/h4H,3H2,1-2H3,(H,9,10,11)
• InChI key: InChIKey=HDIWKNXVBQPJCO-UHFFFAOYSA-N
• SMILES: CCOC(=O)c1cnc(SC)[nH]c1=O