334476-64-1
Chemical Structure
Vestipitant mesylate
Synonym(s): GW597599 mesylate; GW597599B
- CAS No.: 334476-64-1
- Formula:C24H28F7N3O4S
- Molecular Weight:587.55
IUPAC Name: (S)-N-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethyl)-2-(4-fluoro-2-methylphenyl)-N-methylpiperazine-1-carboxamide methanesulfonate
InChIKey: BHECXGHXWKHZOY-DXPOFMJKSA-N
SMILES: O=C(N1CCNC[C@@H]1C2=CC=C(F)C=C2C)N([C@@H](C3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3)C)C.CS(=O)(O)=O
Biological Activity: Vestipitant (GW597599) mesylate is a selective, orally active, and blood-brain barrier penetrant NK1 receptor antagonist. Vestipitant mesylate exhibits high affinity for the human NK1 receptor (pKi: 9.65). Vestipitant mesylate can be used in the research of diseases such as depression, anxiety disorders, and nausea and vomiting[1][2].
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Vestipitant mesylate | Vestipitant (GW597599) mesylate is a selective, orally active, and blood-brain barrier penetrant NK1 receptor antagonist. Vestipitant mesylate exhibits high affinity for the human NK1 receptor (pKi: 9.65). Vestipitant mesylate can be used in the research of diseases such as depression, anxiety disorders, and nausea and vomiting. | |||||||||||||||||||||
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References
- [1]. Guercio G, et al. Synthesis of the NK1 receptor antagonist GW597599. Part 1: development of a scalable route to a key chirally pure arylpiperazine. Organic Process Research & Development, 2008, 12(6): 1188-1194.
- [2]. Di Fabio R, et al. Discovery process and pharmacological characterization of 2-(S)-(4-fluoro-2-methylphenyl) piperazine-1-carboxylic acid [1-(R)-(3, 5-bis-trifluoromethylphenyl) ethyl] methylamide (vestipitant) as a potent, selective, and orally active NK1 receptor antagonist. Journal of medicinal chemistry, 2009, 52(10): 3238-3247.
