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4H-Isoindol-4-one,octahydro-2-[1-imino-2-(2-methoxyphenyl)ethyl]-7,7-diphenyl-, (3aR,7aR)- (135911-02-3)

Identification
Name:4H-Isoindol-4-one,octahydro-2-[1-imino-2-(2-methoxyphenyl)ethyl]-7,7-diphenyl-, (3aR,7aR)-
Synonyms:(3aR,7aR)-Octahydro-2-[1-imino-2-(2-methoxyphenyl)ethyl]-7,7-diphenyl-4H-isoindol;RP67580;
CAS:135911-02-3
Molecular Formula: C29H30N2O2
Molecular Weight: 438.5607
InChI: InChI=1S/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/t24-,25+/m0/s1
Molecular Structure: (C29H30N2O2) (3aR,7aR)-Octahydro-2-[1-imino-2-(2-methoxyphenyl)ethyl]-7,7-diphenyl-4H-isoindol;RP67580;
Properties
Melting Point: 195-188ºC
Flash Point: 309.7 ºC
Boiling Point: 588.5 ºC at 760 mmHg
Density:1.17 g/cm3
Refractive index:1.626
Water Solubility:Soluble to 100 mM in Ethanol and to 50 mM in DMSO
Solubility:Soluble to 100 mM in Ethanol and to 50 mM in DMSO
Appearance:White Solid
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.
Flash Point: 309.7 ºC
Safety Data
 

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