142001-63-6

Basic information

• Product Name: Saredutant
• Synonyms: SR 48968;(S)-N-Methyl-N(4-(4-acetylamino-4-phenylpiperidino)-2-(3,4-dichlorophenyl)butyl)benzamide;Benzamide, N-((2S)-4-(4-(acetylamino)-4-phenyl-1-piperidinyl)-2-(3,4-dichlorophenyl)butyl)-N-methyl-;Benzamide, N-(4-(4-(acetylamino)-4-phenyl-1-piperidinyl)-2-(3,4-dichlorophenyl)butyl)-N-methyl-, (S)-;Sr 48968c
• CAS NO: 142001-63-6
• Molecular Formula: C31H35Cl2N3O2
• Molecular Weight: 552.542
• Mol File: 142001-63-6.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 734.7°Cat760mmHg
• Flash Point: 398.1°C
• Appearance: /
• Density: 1.26g/cm³
• Vapor Pressure: 1.91E-21mmHg at 25°C
• Refractive Index: 1.628
• PKA: 15.88±0.20(Predicted)
• CAS DataBase Reference: Saredutant(CAS DataBase Reference)
• NIST Chemistry Reference: Saredutant(142001-63-6)
• EPA Substance Registry System: Saredutant(142001-63-6)

Safety Data

• Hazardous Substances Data: 142001-63-6(Hazardous Substances Data)

Usage

Description

Saredutant, a chemical compound, is a selective antagonist of the neurokinin-2 receptor. This receptor is implicated in the regulation of stress and anxiety responses, mood, and cognitive functions. Saredutant's potential as a treatment for mood and anxiety disorders has been demonstrated in preclinical and clinical trials. Its mechanism of action is believed to involve the blocking of substance P, a neuropeptide that modulates stress and anxiety responses. As research progresses, saredutant may emerge as a significant development in the treatment of psychiatric conditions.

Uses

Used in Pharmaceutical Industry:
Saredutant is used as a potential treatment for mood and anxiety disorders due to its ability to block the neurokinin-2 receptor, thereby modulating the effects of substance P and potentially alleviating symptoms associated with these conditions.
Used in Psychiatric Research:
Saredutant is used as a subject of preclinical and clinical trials to explore its efficacy and mechanisms in treating mood and anxiety disorders, with the aim of developing new therapeutic approaches for psychiatric conditions.

InChI:InChI=1/C31H35Cl2N3O2/c1-23(37)34-31(27-11-7-4-8-12-27)16-19-36(20-17-31)18-15-26(25-13-14-28(32)29(33)21-25)22-35(2)30(38)24-9-5-3-6-10-24/h3-14,21,26H,15-20,22H2,1-2H3,(H,34,37)/t26-/m1/s1

Upstream product

• 110-17-8 (2E)-but-2-enedioic acid 
• 146396-04-5 N-(4-phenylpiperidin-4-yl)acetamide 
• 135936-16-2 α-[2-(Tetrahydropyran-2-yloxy)ethyl]-3,4-dichlorophenyl-acetonitrile 
• 152298-51-6 2-(2-Hydroxyethyl)-2-(3,4-dichlorobenzene)ethanamine 
• 142001-92-1 N-[2-(3,4-Dichlorophenyl)-4-hydroxybutyl]-N-methylbenzamide 
• 152298-54-9 N-[2-(S)-(3,4-dichlorophenyl)-4-hydroxybutyl]-N-methylamine 
• 3218-49-3 3,4-dichloro-benzeneacetonitrile 
• 142001-87-4 N-[2-(3,4-dichlorophenyl)-4-[(methylsulfonyl)oxy]butyl]-N-methyl benzamide 
• 160809-30-3 N-[2-(3,4-dichlorophenyl)-3-formylpropyl]-N-methylbenzamide 

Relevant articles and documents

4-Amino-2-(aryl)-butylbenzamides and their conformationally constrained analogues. Potent antagonists of the human neurokinin-2 (NK2) receptor

A library, evaluating a range of piperazines, piperidines and acyclic amines, as replacements for the 4-hydroxy-4-phenylpiperidine moiety in lead (1b) was prepared. These efforts identified the 4-((N)-benzimidazolone)piperidine analogue (2a) which was further optimised using classical single-compound synthesis to yield the 3-((N)-morpholino)azetidine (2j). Conformationally constrained analogues of (2j), generally offered no potency advantage in this particular series.

Process for the preparation of an optically pure aminoalcohol

A process is described for the preparation of (+)-2-(3,4-dichlorophenyl)-4-hydroxybutylamine (I) by reaction of 3,4-dichlorophenylacetonitrile (II) with an alkali metal halogenoacetate, treatment of the 3-cyano-3-(3,4-dichlorophenyl)propionic acid (III) w