1254831-91-8

Basic information

• Product Name: 6-benzyl-1-(((4-fluorobenzyl)oxy)methyl)-5-isopropylpyrimidine-2,4(1H,3H)-dione
• Synonyms: 6-benzyl-1-(((4-fluorobenzyl)oxy)methyl)-5-isopropylpyrimidine-2,4(1H,3H)-dione
• CAS NO: 1254831-91-8
• Molecular Weight: 382.435
• Mol File: 1254831-91-8.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 6-benzyl-1-(((4-fluorobenzyl)oxy)methyl)-5-isopropylpyrimidine-2,4(1H,3H)-dione(CAS DataBase Reference)
• NIST Chemistry Reference: 6-benzyl-1-(((4-fluorobenzyl)oxy)methyl)-5-isopropylpyrimidine-2,4(1H,3H)-dione(1254831-91-8)
• EPA Substance Registry System: 6-benzyl-1-(((4-fluorobenzyl)oxy)methyl)-5-isopropylpyrimidine-2,4(1H,3H)-dione(1254831-91-8)

Safety Data

• Hazardous Substances Data: 1254831-91-8(Hazardous Substances Data)

Upstream product

• 609-12-1 ethyl 2-bromoisovalerate 
• 459-56-3 4-fluorobenzylic alcohol 
• 176519-53-2 ethyl 2-isopropyl-3-oxo-4-phenylbutanoate 
• 140-29-4 phenylacetonitrile 
• 104620-66-8 1-(chloromethoxymethyl)-4-fluorobenzene 
• 176519-55-4 6-benzyl-5-isopropylpyrimidine-2,4(1H,3H)-dione 

Downstream Products

• 1254831-82-7 6-benzyl-1-((4-fluorobenzyloxy)methyl)-3-hydroxy-5-isopropylpyrimidine-2,4(1H,3H)-dione 
• 1281859-62-8 6-benzyl-1-(((4-fluorobenzyl)oxy)methyl)-5-isopropyl-3-methylpyrimidine-2,4(1H,3H)-dione 
• 1281859-69-5 6-benzyl-1-(((4-fluorobenzyl)oxy)methyl)-5-isopropyl-3-methoxypyrimidine-2,4(1H,3H)-dione 

Relevant articles and documents

N-3 hydroxylation of pyrimidine-2,4-diones yields dual inhibitors of HIV reverse transcriptase and integrase

A new molecular scaffold featuring an N-hydroxyimide functionality and capable of inhibiting both reverse transcriptase (RT) and integrase (IN) of human immunodeficiency virus (HIV) was rationally designed based on 1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)thymine (HEPT) non-nucleoside RT inhibitors (NNRTIs). The design involves a minimal 3-N hydroxylation of the pyrimidine ring of HEPT compound to yield a chelating triad which, along with the existing benzyl group, appeared to satisfy major structural requirements for IN binding. In the mean time, this chemical modification did not severely compromise the compound's ability to inhibit RT. A preliminary structure-activity relationship (SAR) study reveals that this N-3 OH is essential for IN inhibition and that the benzyl group on N-1 side chain is more important for IN binding than the one on C-6.