1026494-93-8

Basic information

• Product Name: C₂₉H₃₀O₇S₃N₂
• Synonyms: C₂₉H₃₀O₇S₃N₂
• CAS NO: 1026494-93-8
• Molecular Weight: 614.764
• Mol File: 1026494-93-8.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: C₂₉H₃₀O₇S₃N₂(CAS DataBase Reference)
• NIST Chemistry Reference: C₂₉H₃₀O₇S₃N₂(1026494-93-8)
• EPA Substance Registry System: C₂₉H₃₀O₇S₃N₂(1026494-93-8)

Safety Data

• Hazardous Substances Data: 1026494-93-8(Hazardous Substances Data)

Upstream product

• 1026717-79-2 C₁₅H₁₈O₃SN₂ 
• 98-59-9 p-toluenesulfonyl chloride 
• 74687-21-1 5-isopropylthiobarbituric acid 
• 23450-37-5 5-methyl-2-thioxo-dihydro-pyrimidine-4,6-dione 
• 759-36-4 diethyl isopropylmalonate 

Downstream Products

• 1026078-41-0 C₃₄H₃₁O₄S₂N₃ 
• 1027236-09-4 C₃₀H₂₉O₄S₂N₃ 
• 1028257-74-0 C₃₀H₂₇O₄S₂N₃Cl₂ 

Relevant articles and documents

Synthesis and biological evaluation of new conformationally restricted S-DABO hybrids as non-nucleoside inhibitors of HIV-1 reverse transcriptase

A series of conformationally restricted dihydro-alkylthio-benzyl- oxopyrimidine (S-DABO) hybrids, which combined the structural features of C6-α-methylbenzyl-thio-DABOs (α-methyl-S-DABOs) and C6-α-cyanobenzyl-thio-DABOs (CN-S-DABOs), has been synthesized and biologically evaluated for their anti-HIV activity against wild-type HIV-1 strain IIIB, double RT mutant (K103N + Y181C) strain RES056 and HIV-2 strain ROD in MT-4 cell cultures. Most of these compounds exhibited inhibitory activity (wild-type) within the range of EC50 values from micromolar to nanomolar. Among them, compound 1s displayed the highest anti-HIV-1 activity with an EC50 value of 91 nM and a selectivity index (SI) of 548, which was more potent than zalcitabine and comparable to nevirapine and delavirdine in the same assay. The HIV-1 reverse transcriptase inhibitory (RT) assay confirmed that these conformationally restricted S-DABO hybrids targeted HIV-1 RT. The preliminary structure-activity relationship (SAR) and molecular docking analysis of this new series of conformationally constrained CN-S-DABO hybrids were also investigated.

Synthesis and anti-HIV-1 activity evaluation of 5-alkyl-2-alkylthio-6- (arylcarbonyl or α-cyanoarylmethyl)-3,4-dihydropyrimidin-4(3H)-ones as novel non-nucleoside HIV-1 reverse transcriptase inhibitors

A series of novel S-DABO analogues (S-DABOs, 1) were synthesized and evaluated as inhibitors of human immunodeficiency virus type-1 (HIV-1). Key structural modifications included replacement of the 6-arylmethyl group by a 6-arylcarbonyl or 6-(α-cyanoarylmethyl) group. Most of the compounds showed only micromolar potency against HIV-1 in MT-4 cells in vitro, though two of them (3e and 3g) were unusually potent (IC50 = 0.09 and 0.002 μM, respectively) and selective (SI = 1500 and 4600, respectively). Structure-activity relationships among the newly synthesized S-DABOs are discussed.