vestipitant , CAS No.334476-46-9, Antagonist of NK 1 receptor

Item Number
V614740
Grouped product items
SKUSizeAvailabilityPrice Qty
V614740-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$250.90
V614740-25mg
25mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$1,090.90
View related series
NK1 receptor Antagonist

Basic Description

SynonymsVestipitant | 334476-46-9 | Vestipitant [INN] | GW597599 | GW-597599 | S052TOI9BI | (2S)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperazine-1-carboxamide | UNII-S052TOI9BI | VESTIPITANT [WHO-DD] | CHEMBL522987 | GTPL5757 | SCHEMBL24
Specifications & PurityMoligand™
GradeMoligand™
Action TypeANTAGONIST
Mechanism of actionAntagonist of NK 1 receptor

Associated Targets(Human)

TACR1 Tclin Substance-P receptor (6 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
TACR1 Tclin Neurokinin 1 receptor (6273 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Associated Targets(non-human)

Meriones unguiculatus (417 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Canis familiaris (36305 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Gerbillinae (442 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Names and Identifiers

IUPAC Name (2S)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperazine-1-carboxamide
INCHI InChI=1S/C23H24F7N3O/c1-13-8-18(24)4-5-19(13)20-12-31-6-7-33(20)21(34)32(3)14(2)15-9-16(22(25,26)27)11-17(10-15)23(28,29)30/h4-5,8-11,14,20,31H,6-7,12H2,1-3H3/t14-,20-/m1/s1
InChi Key SBBYBXSFWOLDDG-JLTOFOAXSA-N
Canonical SMILES Fc1ccc(c(c1)C)[C@H]1CNCCN1C(=O)N([C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)C
Isomeric SMILES CC1=C(C=CC(=C1)F)[C@H]2CNCCN2C(=O)N(C)[C@H](C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F
PubChem CID 9832383

Certificates

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Related Documents

References

1. Reddy GK, Gralla RJ, Hesketh PJ.  (2006)  Novel neurokinin-1 antagonists as antiemetics for the treatment of chemotherapy-induced emesis..  Support Cancer Ther,  (3): (140-2).  [PMID:18632487]
2. Brocco M, Dekeyne A, Mannoury la Cour C, Touzard M, Girardon S, Veiga S, de Nanteuil G, deJong TR, Olivier B, Millan MJ.  (2008)  Cellular and behavioural profile of the novel, selective neurokinin1 receptor antagonist, vestipitant: a comparison to other agents..  Eur Neuropsychopharmacol,  18  (10): (729-50).  [PMID:18657401]
3. Ratti E, Carpenter DJ, Zamuner S, Fernandes S, Squassante L, Danker-Hopfe H, Archer G, Robertson J, Alexander R, Trist DG et al..  (2013)  Efficacy of vestipitant, a neurokinin-1 receptor antagonist, in primary insomnia..  Sleep,  36  (12): (1823-30).  [PMID:24293756]

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