1638885-65-0

Basic information

• Product Name: 4-[1,1,3,3-tetradeuterated-(7-(6-cyano-5-(trifluoromethyl)pyridin-3-yl)-8-oxo-6-thioxo-5,7-diazaspiro[3.4]octan-5-yl)]-2-fluoro-N-methylbenzamide
• CAS NO: 1638885-65-0
• Molecular Weight: 481.41
• Mol File: 1638885-65-0.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 4-[1,1,3,3-tetradeuterated-(7-(6-cyano-5-(trifluoromethyl)pyridin-3-yl)-8-oxo-6-thioxo-5,7-diazaspiro[3.4]octan-5-yl)]-2-fluoro-N-methylbenzamide(CAS DataBase Reference)
• NIST Chemistry Reference: 4-[1,1,3,3-tetradeuterated-(7-(6-cyano-5-(trifluoromethyl)pyridin-3-yl)-8-oxo-6-thioxo-5,7-diazaspiro[3.4]octan-5-yl)]-2-fluoro-N-methylbenzamide(1638885-65-0)
• EPA Substance Registry System: 4-[1,1,3,3-tetradeuterated-(7-(6-cyano-5-(trifluoromethyl)pyridin-3-yl)-8-oxo-6-thioxo-5,7-diazaspiro[3.4]octan-5-yl)]-2-fluoro-N-methylbenzamide(1638885-65-0)

Safety Data

• Hazardous Substances Data: 1638885-65-0(Hazardous Substances Data)

Upstream product

• 573762-62-6 5-amino-3-(trifluoromethyl)pyridine-2-carbonitrile 
• 463-71-8 thiophosgene 
• 22245-83-6 3-(trifluoromethyl)pyridin-2-ol 
• 99368-66-8 2-hydroxyl-5-nitro-3-(trifluoromethyl)pyridine 
• 403-24-7 2-fluoro-4-nitrobenzoic acid 
• 915087-25-1 2-fluoro-N-methyl-4-amino-benzamide 
• 573762-57-9 2-cyano-3-(trifluoromethyl)-5-nitropyridine 
• 915087-24-0 2-fluoro-N-methyl-4-nitro-benzamide 

Relevant articles and documents

Design, synthesis, and biological evaluation of deuterated apalutamide with improved pharmacokinetic profiles

A series of deuterated apalutamide were designed and prepared. Compared to its prototype compound 18, deuterated analogues 19 and 21 showed obviously higher plasma concentrations and better PK parameters after oral administration in mice. In rats, N-trideuteromethyl compound 19 displayed 1.8-fold peak concentration (Cmax), and nearly doubled its drug exposure in plasma (AUC0–∞) compared to compound 18. Unsurprisingly, compounds 18 and 19 had similar affinity for AR in vitro. In summary, the deuteration strategy could obviously improve PK parameters of apalutamide.