680191-41-7

Basic information

• Product Name: 4-Piperidinamine, N-[(3,4-dimethylphenyl)methyl]-N-[4-(1-methylethyl)phenyl]-
• CAS NO: 680191-41-7
• Molecular Formula: C23H32N2
• Molecular Weight: 336.52
• Mol File: 680191-41-7.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 4-Piperidinamine, N-[(3,4-dimethylphenyl)methyl]-N-[4-(1-methylethyl)phenyl]-(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Piperidinamine, N-[(3,4-dimethylphenyl)methyl]-N-[4-(1-methylethyl)phenyl]-(680191-41-7)
• EPA Substance Registry System: 4-Piperidinamine, N-[(3,4-dimethylphenyl)methyl]-N-[4-(1-methylethyl)phenyl]-(680191-41-7)

Safety Data

• Hazardous Substances Data: 680191-41-7(Hazardous Substances Data)

Upstream product

• 680191-38-2 N-(tert-butoxycarbonyl)-4-[N-(3,4-dimethylbenzyl)-N-(4-isopropylphenyl)amino]piperidine 
• 99-88-7 4-Isopropylaniline 
• 241499-44-5 N-(tert-butoxycarbonyl)-4-(4-isopropylanilino)piperidine 
• 79099-07-3 N-tert-butyloxycarbonylpiperidin-4-one 

Relevant articles and documents

N-[4-(Methylsulfonylamino)benzyl]thiourea analogues as vanilloid receptor antagonists: Analysis of structure-activity relationships for the 'C-Region'

We recently reported that N-(4-t-butylbenzyl)-N′-[4- (methylsulfonylamino)benzyl] thiourea (2) was a high affinity antagonist of the vanilloid receptor with a binding affinity of Ki=63 nM and an antagonism of Ki=53.9 nM in rat VR1 heterologously expressed in Chinese hamster ovary (CHO) cells (Mol. Pharmacol. 2002, 62, 947-956). In an effort to further improve binding affinity and antagonistic potency, we have modified the C-region of the lead 4-t-butylbenzyl group with diverse surrogates, such as araalkyl, alkyl, 4-alkynylbenzyl, indanyl, 3,3-diarylpropyl, 4-alkoxybenzyl, 4-substituted piperazine and piperidine. The lipophilic surrogates, arylalkyl and alkyl, conferred modest decreases in binding affinities and antagonistic potencies; the groups having heteroatoms resulted in dramatic decreases. Our findings indicate that 4-t-butylbenzyl is one of the most favorable groups for high receptor binding and potent antagonism to VR1 in this structural series.