Chemistry:Vestipitant

Vestipitant
Clinical data
ATC code	None;
Identifiers
	IUPAC name (2S)-N-{(1R)-1-[3,5-bis(trifluoromethyl); phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methylpiperazine-1-carboxamide;
CAS Number	334476-46-9 ; Mesylate: 334476-64-1 ;
PubChem CID	9832383;
IUPHAR/BPS	5757;
ChemSpider	8008111 ;
UNII	S052TOI9BI; Mesylate: OWR424W90Q ;
KEGG	D06293 ;
ChEMBL	ChEMBL522987 ;
Chemical and physical data
Formula	C23H21F10N3O
Molar mass	545.425 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES FC(F)(F)c1cc(F)ccc1C2CNCCN2C(=O)N(C)C(C)c3cc(C(F)(F)F)cc(c3)C(F)(F)F;
	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 ; Key:SBBYBXSFWOLDDG-JLTOFOAXSA-N ;
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Short description: Chemical compound

Vestipitant (INN)^[1]^:98 is a drug developed by GlaxoSmithKline which acts as a selective antagonist for the NK₁ receptor. It is under development as a potential antiemetic and anxiolytic drug,^[2]^[3] and as a treatment for tinnitus^[4] and insomnia.^[5]

References

↑ "International Nonproprietary Names for Pharmaceutical Substances (INN). Recommended International Nonproprietary Names: List 53". World Health Organization. https://www.who.int/medicines/publications/druginformation/innlists/RL53.pdf.
↑ "Novel neurokinin-1 antagonists as antiemetics for the treatment of chemotherapy-induced emesis". Supportive Cancer Therapy 3 (3): 140–2. April 2006. doi:10.3816/SCT.2006.n.011. PMID 18632487.
↑ "Cellular and behavioural profile of the novel, selective neurokinin1 receptor antagonist, vestipitant: a comparison to other agents". European Neuropsychopharmacology 18 (10): 729–50. October 2008. doi:10.1016/j.euroneuro.2008.06.002. PMID 18657401.
↑ Clinical trial number NCT00394056 for "Vestipitant Or Vestipitant/Paroxetine Combination In Subjects With Tinnitus And Hearing Loss" at ClinicalTrials.gov
↑ "Efficacy of vestipitant, a neurokinin-1 receptor antagonist, in primary insomnia". Sleep 36 (12): 1823–30. December 2013. doi:10.5665/sleep.3208. PMID 24293756.

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v t e Antiemetics (A04)
5-HT₃ serotonin ion channel antagonists	Alosetron Azasetron Bemesetron Cilansetron Clozapine Dazopride Dolasetron Granisetron Lerisetron Metoclopramide Mianserin Mirtazapine Olanzapine Ondansetron Palonosetron (+netupitant) Quetiapine Ramosetron Ricasetron Tropisetron Zatosetron
5-HT serotonin G-protein receptor antagonists	Clozapine Cyproheptadine Hydroxyzine Olanzapine Risperidone Ziprasidone
CB₁ agonists (cannabinoids)	Dronabinol Nabilone Tetrahydrocannabinol (cannabis)
D₂/D₃ antagonists	Alizapride Bromopride Chlorpromazine Clebopride Domperidone Haloperidol Hydroxyzine Itopride Metoclopramide Metopimazine Prochlorperazine Thiethylperazine Trimethobenzamide
H₁ antagonists (antihistamines)	Cyclizine Dimenhydrinate Diphenhydramine Hydroxyzine Meclizine Promethazine
mACh antagonists (anticholinergics)	Atropine Diphenhydramine Hydroxyzine (very mild) Hyoscyamine Scopolamine
NK₁ antagonists	Aprepitant Casopitant Ezlopitant Fosaprepitant Maropitant Netupitant Rolapitant Vestipitant
Others	Cerium oxalate Dexamethasone Lorazepam Midazolam Propofol

Clinical data

ATC code	None
Identifiers
IUPAC name (2S)-N-{(1R)-1-[3,5-bis(trifluoromethyl) phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methylpiperazine-1-carboxamide
CAS Number	334476-46-9^Y Mesylate: 334476-64-1^Y
PubChem CID	9832383
IUPHAR/BPS	5757
ChemSpider	8008111^N
UNII	S052TOI9BI Mesylate: OWR424W90Q^Y
KEGG	D06293^N
ChEMBL	ChEMBL522987^N
Chemical and physical data
Formula	C₂₃H₂₁F₁₀N₃O
Molar mass	545.425 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES FC(F)(F)c1cc(F)ccc1C2CNCCN2C(=O)N(C)C(C)c3cc(C(F)(F)F)cc(c3)C(F)(F)F
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^N Key:SBBYBXSFWOLDDG-JLTOFOAXSA-N^N
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