1255794-60-5

Basic information

• Product Name: (2S,11S,11aR)-11-benzoyloxy-10-(methoxy-methoxymethyl)-2-triisopropyl-siloxy-2,3,11,11a-tetra-hydro-1H-benzo[d]pyrrolo[1,2-a]-azepin-5(6H)-one
• CAS NO: 1255794-60-5
• Molecular Weight: 567.798
• Mol File: 1255794-60-5.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: (2S,11S,11aR)-11-benzoyloxy-10-(methoxy-methoxymethyl)-2-triisopropyl-siloxy-2,3,11,11a-tetra-hydro-1H-benzo[d]pyrrolo[1,2-a]-azepin-5(6H)-one(CAS DataBase Reference)
• NIST Chemistry Reference: (2S,11S,11aR)-11-benzoyloxy-10-(methoxy-methoxymethyl)-2-triisopropyl-siloxy-2,3,11,11a-tetra-hydro-1H-benzo[d]pyrrolo[1,2-a]-azepin-5(6H)-one(1255794-60-5)
• EPA Substance Registry System: (2S,11S,11aR)-11-benzoyloxy-10-(methoxy-methoxymethyl)-2-triisopropyl-siloxy-2,3,11,11a-tetra-hydro-1H-benzo[d]pyrrolo[1,2-a]-azepin-5(6H)-one(1255794-60-5)

Safety Data

• Hazardous Substances Data: 1255794-60-5(Hazardous Substances Data)

Upstream product

• 1255794-59-2 (2S,11R,11aR)-11-hydroxy-10-(methoxymethoxymethyl)-2-triisopropylsiloxy-2,3,11,11a-tetrahydro-1H-benzo[d]pyrrolo[1,2-a]azepin-5(6H)-one 
• 65-85-0 benzoic acid 

Downstream Products

• 1255794-61-6 C₃₀H₄₁NO₅Si 

Relevant articles and documents

Design and synthesis of de novo cytotoxic alkaloids by mimicking the bioactive conformation of paclitaxel

Novel paclitaxel-mimicking alkaloids were designed and synthesized based on a bioactive conformation of paclitaxel, that is, REDOR-Taxol. The alkaloid 2 bearing a 5-7-6 tricyclic scaffold mimics REDOR-Taxol best among the compounds designed and was found to be the most potent compound against several drug-sensitive and drug-resistant human cancer cell lines. MD simulation study on the paclitaxel mimics 1 and 2 as well as REDOR-Taxol bound to the 1JFF tubulin structure was quite informative to evaluate the level of mimicking. The MD simulation study clearly distinguishes the 5-6-6 and 5-7-6 tricyclic scaffolds, and also shows substantial difference in the conformational stability of the tubulin-bound structures between 2 and REDOR-Taxol. The latter may account for the large difference in potency, and provides critical information for possible improvement in the future design of paclitaxel mimics.