890524-76-2

Basic information

• Product Name: [6-chloro-3-(3,5-dimethyl-benzyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl]-acetonitrile
• Synonyms: [6-chloro-3-(3,5-dimethyl-benzyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl]-acetonitrile
• CAS NO: 890524-76-2
• Molecular Weight: 303.748
• Mol File: 890524-76-2.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: [6-chloro-3-(3,5-dimethyl-benzyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl]-acetonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: [6-chloro-3-(3,5-dimethyl-benzyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl]-acetonitrile(890524-76-2)
• EPA Substance Registry System: [6-chloro-3-(3,5-dimethyl-benzyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl]-acetonitrile(890524-76-2)

Safety Data

• Hazardous Substances Data: 890524-76-2(Hazardous Substances Data)

Upstream product

• 1453172-27-4 6-chloro-1-methoxymethyl-3-(3,5-dimethylbenzyl)uracil 
• 590-17-0 cyanomethyl bromide 
• 228396-40-5 1-methoxymethyl-6-chlorouracil 
• 890524-75-1 (6-chloro-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-acetonitrile 
• 27129-87-9 3,5-dimethylbenzyl alcohol 

Downstream Products

• 890525-17-4 [3-(3,5-dimethyl-benzyl)-2,4-dioxo-6-piperazin-1-yl-3,4-dihydro-2H-pyrimidin-1-yl]-acetonitrile 

Relevant articles and documents

Synthesis and evaluation of novel 3-(3,5-dimethylbenzyl)uracil analogs as potential anti-HIV-1 agents

A novel series of uracil derivatives with a 3,5-dimethylbenzyl group at the N3-position were synthesized and evaluated as non-nucleoside HIV-1 reverse transcriptase inhibitors. Some of these compounds showed good-to-moderate activity with EC50 values in the submicromolar range. Among them, compound 10c showed significant potency against HIV-1 activity with an EC50 value of 0.03 μM and a high selectivity index of 2863. Preliminary structure-activity relationships and molecular modeling analyses were used to explore the major interactions between HIV-1 reverse transcriptase and the potent inhibitor 10c, which may serve as an important lead for further optimization.