CAS 518048-04-9

Methyl 2-[[1-[4-[[[(4-fluorophenyl)methyl]amino]carbonyl]-1,6-dihydro-5-hydroxy-1-methyl-6-oxo-2-pyrimidinyl]-1-methylethyl]amino]-2-oxoacetate

Description:

Methyl 2-[[1-[4-[[[(4-fluorophenyl)methyl]amino]carbonyl]-1,6-dihydro-5-hydroxy-1-methyl-6-oxo-2-pyrimidinyl]-1-methylethyl]amino]-2-oxoacetate, with CAS number 518048-04-9, is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups such as amines, carbonyls, and esters. This compound features a pyrimidine ring, which is a six-membered aromatic heterocycle containing nitrogen atoms, contributing to its biological activity. The presence of a fluorophenyl group suggests potential interactions in biological systems, possibly enhancing its pharmacological properties. The methyl ester functionality indicates that it may exhibit lipophilic characteristics, influencing its solubility and permeability. Additionally, the compound's structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals targeting specific biological pathways. Its synthesis and characterization would typically involve techniques such as NMR spectroscopy, mass spectrometry, and chromatography to confirm purity and structural integrity. Overall, this compound exemplifies the complexity often found in drug-like molecules, highlighting the interplay between structure and biological activity.

Formula: C₁₉H₂₁FN₄O₆

InChI: InChI=1S/C19H21FN4O6/c1-19(2,23-15(27)17(29)30-4)18-22-12(13(25)16(28)24(18)3)14(26)21-9-10-5-7-11(20)8-6-10/h5-8,25H,9H2,1-4H3,(H,21,26)(H,23,27)

InChI key: InChIKey=INYVTIRVESMVAC-UHFFFAOYSA-N

SMILES: C(NC(C(OC)=O)=O)(C)(C)C1=NC(C(NCC2=CC=C(F)C=C2)=O)=C(O)C(=O)N1C

Synonyms:

• Methyl [[1-[4-[[(4-fluorobenzyl)amino]carbonyl]-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl]-1-methylethyl]amino](oxo)acetate
• Methyl 2-[[1-[4-[[[(4-fluorophenyl)methyl]amino]carbonyl]-1,6-dihydro-5-hydroxy-1-methyl-6-oxo-2-pyrimidinyl]-1-methylethyl]amino]-2-oxoacetate
• Acetic acid, [[1-[4-[[[(4-fluorophenyl)methyl]amino]carbonyl]-1,6-dihydro-5-hydroxy-1-methyl-6-oxo-2-pyrimidinyl]-1-methylethyl]amino]oxo-, methyl ester
• Acetic acid, 2-[[1-[4-[[[(4-fluorophenyl)methyl]amino]carbonyl]-1,6-dihydro-5-hydroxy-1-methyl-6-oxo-2-pyrimidinyl]-1-methylethyl]amino]-2-oxo-, methyl ester
• Methyl [[1-[4-[[(4-Fluorobenzyl)amino]carbonyl]-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl]-
• Raltegravir Impurity 12
• Raltegravir Diketo Methoxy Impurity
• Raltegravir Impurity 7

Raltegravir Impurity 7

CAS: 518048-04-9

Formula: C₁₉H₂₁FN₄O₆

Molecular weight: 420.40

Ref: 4Z-R-2414

Raltegravir Diketo Methoxy Impurity

CAS: 518048-04-9

Formula: C₁₉H₂₁FN₄O₆

Molecular weight: 420.39

Ref: ST-EA-CP-R6011

Methyl [[1-[4-[[(4-Fluorobenzyl)amino]carbonyl]-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl]-1-methylethyl]amino](oxo)acetate

Controlled Product

CAS: 518048-04-9

Applications Methyl [[1-[4-[[(4-Fluorobenzyl)amino]carbonyl]-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl]-1-methylethyl]amino](oxo)acetate is an intermediate in the synthesis of 2-Des(5-methyl-1,3,4-oxadiazole-2-carboxamide) 2-(2-Amino-2-oxoacetic Acid) Raltegravir (D293105), which is a derivative of Raltegravir (R100300), a potent human immunodeficiency virus (HIV) integrase inhibitor. A novel anti-AIDS drug.
References Wade, K., et al.: J. Pharmacol. Biomed. Anal., 8, 401 (1990), Hazuda, D., et al.: Science, 287, 646 (2000), Williams, J., et al.: Drug Metab. Dispos., 32, 1201 (2004), Duckett, C., et al.: Xenobiotica, 36, 59 (2006), Miners, J., et al.: Biochem. Pharmacol., 71, 1531 (2006), Summa, V., et al.: J. Med. Chem., 49, 6646 (2006)

Formula: C₁₉H₂₁FN₄O₆

Color and Shape: Neat

Molecular weight: 420.39

Ref: TR-M305195