1033617-58-1

Basic information

• Product Name: C₁₆H₁₅Cl₂NO₂S
• Synonyms: C₁₆H₁₅Cl₂NO₂S
• CAS NO: 1033617-58-1
• Molecular Weight: 356.273
• Mol File: 1033617-58-1.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: C₁₆H₁₅Cl₂NO₂S(CAS DataBase Reference)
• NIST Chemistry Reference: C₁₆H₁₅Cl₂NO₂S(1033617-58-1)
• EPA Substance Registry System: C₁₆H₁₅Cl₂NO₂S(1033617-58-1)

Safety Data

• Hazardous Substances Data: 1033617-58-1(Hazardous Substances Data)

Upstream product

• 7417-18-7 2-methoxyphenethyl alcohol 
• 6590-94-9 3,4-dichlorophenyl isothiocyanate 

Relevant articles and documents

Thiocarbamates as non-nucleoside HIV-1 reverse transcriptase inhibitors. Part 2: Parallel synthesis, molecular modelling and structure-activity relationship studies on analogues of O-(2-phenylethyl)-N-phenylthiocarbamate

To acquire further insight into the structure-activity relationship (SAR) of the thiocarbamates (TCs) described in the preceding work, 57 analogues of the lead compound O-(2-phenylethyl)-N-phenylthiocarbamate I were prepared by parallel solution-phase synthesis. We varied the 2-phenylethyl moiety (mono-substitution on the phenyl ring and modification of the ethyl linker), keeping constant the N-phenyl ring substitutions which have given the best results in the previous series. Most of the new TCs inhibited wild-type HIV-1 at micro- and nanomolar concentrations in MT-4 cell-based assays. Some TCs were also active at micromolar concentrations against the Y181C and/or K103N/Y181C resistant mutants. The SARs were rationalized by docking simulations.