1194956-92-7

Basic information

• Product Name: S-(+)-2-[4-[[(6-chloro-3-pyridinyl)methyl]ethylamino]-3-methyl-5-nitro-1,2,3,6-tetrahydropyrimidin-1-yl]-3-phenylpropanoic acid methyl ester
• Synonyms: S-(+)-2-[4-[[(6-chloro-3-pyridinyl)methyl]ethylamino]-3-methyl-5-nitro-1,2,3,6-tetrahydropyrimidin-1-yl]-3-phenylpropanoic acid methyl ester
• CAS NO: 1194956-92-7
• Molecular Weight: 473.959
• Mol File: 1194956-92-7.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: S-(+)-2-[4-[[(6-chloro-3-pyridinyl)methyl]ethylamino]-3-methyl-5-nitro-1,2,3,6-tetrahydropyrimidin-1-yl]-3-phenylpropanoic acid methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: S-(+)-2-[4-[[(6-chloro-3-pyridinyl)methyl]ethylamino]-3-methyl-5-nitro-1,2,3,6-tetrahydropyrimidin-1-yl]-3-phenylpropanoic acid methyl ester(1194956-92-7)
• EPA Substance Registry System: S-(+)-2-[4-[[(6-chloro-3-pyridinyl)methyl]ethylamino]-3-methyl-5-nitro-1,2,3,6-tetrahydropyrimidin-1-yl]-3-phenylpropanoic acid methyl ester(1194956-92-7)

Safety Data

• Hazardous Substances Data: 1194956-92-7(Hazardous Substances Data)

Upstream product

• 120739-77-7 N-(6-chloro-pyridin-3-yl)methyl-N-ethylamine 
• 50-00-0 formaldehyd 
• 7524-50-7 methyl (2S)-2-amino-3-phenylpropanoate hydrochloride 
• 150824-47-8 nitenpiram 

Relevant articles and documents

Nitromethylene neonicotinoids analogues with tetrahydropyrimidine fixed cis-configuration: Synthesis, lnsecticidal activities, and molecular docking studies

Two series of new nitromethylene neonicotinoid analogues (2a-2h and 3a-3h) were designed and prepared, with the cis-configuration confirmed by X-ray diffraction. Preliminary bioassays showed that most analogues exhibited excellent insectlcidal activities at 500 mg/L, and analogues with optical activity (2c-2g) were highly potent at 100 mg/L, while compound 2d had >90% mortality at 20 mg/L, which suggested that it could be used as a lead for future insecticides development. Modeling the ligand-receptor complexes by molecular docking study explained the structureactivity relationships observed in vitro and revealed an intriguing molecular binding mode at the active site of the nAChR model, thereby possibly providing some useful information for future receptor structure-based designs of novel insecticidal compounds.