An NK1 receptor antagonist
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Casopitant (mesylate)

Item No. 42910

Product Insert (PDF)Safety Data Sheet (SDS) (PDF)
Technical Information
Formal Name
(2R,4S)-4-(4-acetyl-1-piperazinyl)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-1-piperidinecarboxamide, methanesulfonate
CAS Number
414910-30-8
Synonyms
  • GW 679769
Molecular Formula
C30H35F7N4O2 • CH3SO3H
Formula Weight
712.7
Purity
≥98%
Formulation
A solid
Solubility(Learn about Variance in Solubility)
Acetonitrile: Slightly soluble: 0.1-1 mg/mlMethanol: Slightly soluble: 0.1-1 mg/ml
SMILES
CS(=O)(O)=O.C[C@H](C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)N(C)C(N2[C@@H](C3=C(C=C(C=C3)F)C)C[C@@H](N4CCN(CC4)C(C)=O)CC2)=O
InChi Code
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
InChi Key
YRFKYVWDPCOSTE-REWBLLDVSA-N
Shipping & Storage Information
Storage
-20°C
Shipping
Wet ice in continental US; may vary elsewhere
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    1 mg

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    5 mg

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    Product Description

    Casopitant is a neurokinin-1 (NK1) receptor antagonist (Ki = 0.33 nM).1 It is selective for the NK1 receptor over a panel of 70 G protein-coupled receptors (GPCRs), ion channels, and transporters at 10 µM. Casopitant inhibits substance P-induced increases in intracellular calcium in CHO cells expressing the human NK1 receptor (pA2 = 9.7). Oral administration of casopitant (1 mg/kg) increases social interaction time in the social exploration test in gerbils, indicating anxiolytic-like activity. It inhibits GR73632-induced foot tapping in gerbils with half-maximal inhibitory dose (ID50) values of 0.08, 0.04, 0.19, and 1.1 mg/kg when administered 1, 4, 8, or 24 hours prior to GR73632, respectively.

    WARNING This product is not for human or veterinary use.

    References & Product Citations
    Product Description References

    1. Di Fabio, R., Alvaro, G., Griffante, C., et al. Discovery and biological characterization of (2R,4S)-1'-acetyl-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-4,4'-bipiperidine-1-carboxamide as a new potent and selective neurokinin 1 (NK1) receptor antagonist clinical candidate. J. Med. Chem. 54(4), 1071-1079 (2011).