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Casopitant mesylate
- GW 679769B
Axon 1901
- Parent CAS: 414910-27-3
- Optical Purity: Optically pure
- Soluble in water and DMSO
- MF: C30H35F7N4O2.CH4O3S
- MW: 712.72
Description
Casopitant mesylate (GW 679769B) is a potent, selective and orally active neurokinin 1 (NK1) receptor antagonist targeting the substance P receptor pathway.
NK1 receptors mediate substance P signaling involved in emesis, pain, inflammation and stress-related CNS responses. Casopitant is useful as a reference antagonist for NK1 receptor pharmacology and antiemetic pathway research.
Key Features
- Selective NK1 receptor antagonist
- Orally active substance P receptor pathway inhibitor
- Relevant to emesis and neuroinflammatory signaling
- Clinically relevant GPCR antagonist reference compound
Applications
- NK1 receptor binding and functional assays
- Substance P signaling studies
- Antiemetic mechanism and nausea pathway research
- GPCR antagonist profiling
More Information
| Parent CAS No. | 414910-27-3 |
|---|---|
| Chemical Name | (2R,4S)-4-(4-acetylpiperazin-1-yl)-N-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethyl)-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide methanesulfonate |
| SMILES | CS(O)(=O)=O.C1[C@H](C2C(C)=CC(F)=CC=2)N(C(=O)N([C@@H](C2C=C(C(F)(F)F)C=C(C(F)(F)F)C=2)C)C)CC[C@@H]1N1CCN(C(C)=O)CC1 |&1:6,19,38,r| |
| MFCD | N.A. |
| InChi | InChI=1S/C30H35F7N4O2.CH4O3S/c1-18-13-24(31)5-6-26(18)27-17-25(40-11-9-39(10-12-40)20(3)42)7-8-41(27)28(43)38(4)19(2)21-14-22(29(32,33)34)16-23(15-21)30(35,36)37;1-5(2,3)4/h5-6,13-16,19,25,27H,7-12,17H2,1-4H3;1H3,(H,2,3,4)/t19-,25+,27-;/m1./s1 |
| InChiKey | YRFKYVWDPCOSTE-REWBLLDVSA-N |
| CID | 11686295 |
| Short Description | NK1 antagonist |
References
- E Minthorn et al. Pharmacokinetics and Brain Penetration of Casopitant, a Potent and Selective Neurokinin-1 Receptor Antagonist, in the Ferret. Drug Metabol. Disp. 2008, 36(9), 1846-1852.
- C Ruhlmann and J Herrstedt. Casopitant: a novel NK1-receptor antagonist in the prevention of chemotherapy-induced nausea and vomiting. Ther Clin Risk Manag. 2009, 5, 375–384.
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