168541-85-3

Basic information

• Product Name: N-[3,5-Bis(trifluoromethyl)benzyl]-8-(4-fluorophenyl)-5,6-dihydro-N, 6-dimethyl-5-oxo-7-pyrido[4,3-b]pyridine carboxamide
• Synonyms: N-[3,5-Bis(trifluoromethyl)benzyl]-8-(4-fluorophenyl)-5,6-dihydro-N, 6-dimethyl-5-oxo-7-pyrido[4,3-b]pyridine carboxamide
• CAS NO: 168541-85-3
• Molecular Weight: 537.437
• Mol File: 168541-85-3.mol

Chemical Properties

• CAS DataBase Reference: N-[3,5-Bis(trifluoromethyl)benzyl]-8-(4-fluorophenyl)-5,6-dihydro-N, 6-dimethyl-5-oxo-7-pyrido[4,3-b]pyridine carboxamide(CAS DataBase Reference)
• NIST Chemistry Reference: N-[3,5-Bis(trifluoromethyl)benzyl]-8-(4-fluorophenyl)-5,6-dihydro-N, 6-dimethyl-5-oxo-7-pyrido[4,3-b]pyridine carboxamide(168541-85-3)
• EPA Substance Registry System: N-[3,5-Bis(trifluoromethyl)benzyl]-8-(4-fluorophenyl)-5,6-dihydro-N, 6-dimethyl-5-oxo-7-pyrido[4,3-b]pyridine carboxamide(168541-85-3)

Safety Data

• Hazardous Substances Data: 168541-85-3(Hazardous Substances Data)

Upstream product

• 168542-44-7 N-cyanomethyl-N-methyl-2-(4-fluorobenzoyl)-3-pyridinecarboxamide 
• 168542-46-9 8-(4-fluorophenyl)-5,6-dihydro-6-methyl-5-oxo-7-pyrido[4,3-b]pyridinecarboxamide 
• 168542-40-3 8-(4-Fluorophenyl)-5,6-dihydro-6-methyl-5-oxo-7-pyrido [4,3-b]pyridinecarboxylic acid 
• 168542-45-8 8-(4-fluorophenyl)-5,6-dihydro-6-methyl-5-oxo-7-pyrido[4,3-b]pyridinecarbonitrile 
• 122853-81-0 2-(4-fluorobenzoyl)-3-pyridinecarboxylic acid 
• 352-13-6 4-flourophenylmagnesium bromide 
• 699-98-9 Pyridine-2,3-dicarboxylic anhydride 
• 159820-24-3 {[3,5-bis(trifluoromethyl)phenyl]methyl}methylamine 

Downstream Products

• 168541-28-4 N-[3,5-Bis(trifluoromethyl)benzyl]-8-(4-fluorophenyl)-1,2,3,4,5,6-hexahydro-N, 6-dimethyl-5-oxo-7-pyrido[4,3-b]pyridinecarboxamide 

Relevant articles and documents

Potent NK1 receptor antagonists: synthesis and antagonistic activity of various heterocycles with an N-[3,5-bis(trifluoromethyl)benzyl]-N-methylcarbamoyl substituent.

Various N-[3,5-bis(trifluoromethyl)benzyl]-N-methylcarbamoyl heterocycles (1, 2 and 3) modified at rings A and B in the isoquinolone (1a) and pyrido[3,4-b]pyridine (2a) nuclei were prepared and evaluated for NK1 receptor antagonistic activities. The structure-activity relationship studies on this series, along with conformational analysis, showed that (i) for ring A, 6-membered heterocycles are preferable to 5-membered heterocycles (a ca. 300-fold difference in potency), (ii) the 6-membered ring seems to function as an anchor by fixing the pendant phenyl group in a desirable orientation for receptor binding, and (iii) since compounds with aromatic rings (2) and those with aliphatic rings (3) as ring B both show good potency, this ring does not seem to be essential for receptor recognition. Among the compounds synthesized, the tetrahydropyridine derivatives 3a, 3b and 3f exhibited excellent inhibitory effects both in vitro and in vivo, with potent activity upon oral administration (ED50 = 0.20-0.27 mg/kg) (capsaicin-induced plasma extravasation in guinea pig trachea).

Heterocyclic compounds, their production and use as tachykinin reactor antagonists

A novel compound represented by the formula: STR1 wherein Ring A and Ring B respectively stands for an optionally substituted homo- or hetero-cyclic ring, and at least one of them stands for an optionally substituted heterocyclic ring stand; Ring C stands for an optionally substituted benzene ring; R stands for a hydrogen atom or an optionally substituted hydrocarbon residue; one of X and Y stands for --NR1 -- (R1 stands for a hydrogen atom or an optionally substituted hydrocarbon residue) or --O--, and the other stands for--CO-- or --CS--, or one of them stands for --N= and the other stands for =CR2 -- (R2 stands for a hydrogen atom, a halogen atom, an optionally substituted hydrocarbon residue, an optionally substituted amino group or an optionally substituted hydroxyl group); n denotes 1 or 2 or salts thereof which have an excellent tachykinin receptor antagonistic action and inhibitory action on plasma extravasation.