135911-02-3

Basic information

• Product Name: (3AR,7AR)-OCTAHYDRO-2-[1-IMINO-2-(2-METHOXYPHENYL)ETHYL]-7,7-DIPHENYL-4H-ISOINDOL-4-ONE
• Synonyms: (3AR,7AR)-OCTAHYDRO-2-[1-IMINO-2-(2-METHOXYPHENYL)ETHYL]-7,7-DIPHENYL-4H-ISOINDOL-4-ONE;RP 67580;(3aR,7aR)-Octahydro-2-(1-imino-2-(2-methoxyphenyl)ethyl)-7,7-diphenyl-4H-isoindol;4H-Isoindol-4-one, octahydro-2-(1-imino-2-(2-methoxyphenyl)ethyl)-7,7-diphenyl-, (3ar,7ar)-;4H-Isoindol-4-one, octahydro-2-(1-imino-2-(2-methoxyphenyl)ethyl)-7,7-diphenyl-, (3ar-cis)-;7,7-Diphenyl-2-(1-imino-2-(2-methoxyphenyl)ethyl)perhydroisoindol-4-one;Rp 68651
• CAS NO: 135911-02-3
• Molecular Formula: C29H30N2O2
• Molecular Weight: 438.56
• Product Categories: Tachykinin receptor
• Mol File: 135911-02-3.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 588.5 ºC at 760 mmHg
• Flash Point: 309.7 ºC
• Appearance: white Solid
• Density: 1.17 g/cm³
• Vapor Pressure: 7.89E-14mmHg at 25°C
• Refractive Index: 1.626
• Storage Temp.: Store at +4°C
• CAS DataBase Reference: (3AR,7AR)-OCTAHYDRO-2-[1-IMINO-2-(2-METHOXYPHENYL)ETHYL]-7,7-DIPHENYL-4H-ISOINDOL-4-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: (3AR,7AR)-OCTAHYDRO-2-[1-IMINO-2-(2-METHOXYPHENYL)ETHYL]-7,7-DIPHENYL-4H-ISOINDOL-4-ONE(135911-02-3)
• EPA Substance Registry System: (3AR,7AR)-OCTAHYDRO-2-[1-IMINO-2-(2-METHOXYPHENYL)ETHYL]-7,7-DIPHENYL-4H-ISOINDOL-4-ONE(135911-02-3)

Safety Data

• Hazardous Substances Data: 135911-02-3(Hazardous Substances Data)

Usage

Uses

RP 67580 is a neurokinin-1 receptor (NK1) antagonist.

Biological Activity

Potent and selective tachykinin NK 1 receptor antagonist (K i values are 2.9 nM and > 10 μ M for rat NK 1 , and rat NK 2 and NK 3 receptors respectively). Displays higher affinity at rat and mouse than human receptors. Antinociceptive in vivo , possibly partly via inhibition of calcium channels.

InChI:InChI=1/C29H30N2O2/c1-33-27-15-9-8-10-21(27)18-28(30)31-19-24-25(20-31)29(17-16-26(24)32,22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-15,24-25,30H,16-20H2,1H3/b30-28-/t24-,25+/m0/s1

Upstream product

• 107-06-2 1,2-dichloro-ethane 
• 169104-86-3 (3ARS,7ARS)-7,7-diphenylperhydroisoindol-4-one hydrochloride 
• 33390-80-6 2-(2-methoxyphenyl)acetamide 

Relevant articles and documents

Isoindolone derivatives, their preparation and the pharmaceutical compositions containing them

This invention relates to isoindolone derivatives of general formula (I) in which the radicals R are hydrogen atoms or together form a bond, the symbols R'' are phenyl radicals which can be substituted by a halogen atom or a methyl radical in position 2 or 3, X is an oxygen or sulphur atom or a radical N--R 3, R 3 being H, optionally substituted alkyl or dialkylamino, R 1 is optionally substituted phenyl or cyclohexadienyl, naphthyl or a heterocycle and R 2 is H, halogen, OH, alkyl, amionoalkyl, alkylaminoalkyl, dialkylaminoalkyl, alkoxy, alkylthio, acyloxy, carboxyl, optionally substituted alkoxycarbonyl, benzyloxycarbonyl, amino or acylamino, in their (3aR,7aR) forms or in the (3aRS,7aRS) form or their mixtures, and if appropriate their salts where such exist, and their preparation.The new derivatives according to the invention are particularly valuable as antagonists of substance P. STR1