Vofopitant | CAS#168266-90-8 | CAS#168266-51-1 | NK1 Receptor Antagonist

MedKoo Cat#: 319704 | Name: Vofopitant

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Vofopitant (also known as GR-205,171) is an NK1 receptor antagonist. It has antiemetic effects as with other NK1 antagonists, and also shows anxiolytic actions in animals. It was trialled for applications such as the treatment of social phobia and post-traumatic stress disorder, but did not prove sufficiently effective to be marketed.

Chemical Structure

Vofopitant

CAS#168266-90-8 (free base)

Theoretical Analysis

MedKoo Cat#: 319704

Name: Vofopitant

CAS#: 168266-90-8 (free base)

Chemical Formula: C21H23F3N6O

Exact Mass: 432.1885

Molecular Weight: 432.45

Elemental Analysis: C, 58.33; H, 5.36; F, 13.18; N, 19.43; O, 3.70

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

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Related CAS #

168266-90-8 (free base) 168266-51-1 (2HCl)

Synonym

GR-205,171; GR205,171; GR 205,171; GR-205171; GR205171; GR 205171;Vofopitant.

IUPAC/Chemical Name

(2S,3S)-N-[(2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl)methyl]-2-phenylpiperidin-3-amine

InChi Key

XILNRORTJVDYRH-HKUYNNGSSA-N

InChi Code

InChI=1S/C21H23F3N6O/c1-31-18-10-9-16(30-20(21(22,23)24)27-28-29-30)12-15(18)13-26-17-8-5-11-25-19(17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,19,25-26H,5,8,11,13H2,1H3/t17-,19-/m0/s1

SMILES Code

FC(C1=NN=NN1C2=CC=C(OC)C(CN[C@@H]3[C@H](C4=CC=CC=C4)NCCC3)=C2)(F)F

Appearance

Solid powder

Purity

>98% (or refer to the Certificate of Analysis)

Shipping Condition

Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition

Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility

Soluble in DMSO, not in water

Shelf Life

>2 years if stored properly

Drug Formulation

This drug may be formulated in DMSO

Stock Solution Storage

0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code

2934.99.9001

More Info

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 432.45 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

1: Renoldi G, Invernizzi RW. Blockade of tachykinin NK1 receptors attenuates stress-induced rise of extracellular noradrenaline and dopamine in the rat and gerbil medial prefrontal cortex. J Neurosci Res. 2006 Oct;84(5):961-8. PubMed PMID: 16862563. 2: Gannon RL, Millan MJ. The selective tachykinin neurokinin 1 (NK1) receptor antagonist, GR 205,171, stereospecifically inhibits light-induced phase advances of hamster circadian activity rhythms. Eur J Pharmacol. 2005 Dec 19;527(1-3):86-93. Epub 2005 Nov 22. PubMed PMID: 16307740. 3: Serres F, Sartori SB, Halton A, Pei Q, Rochat C, Singewald N, Sharp T, Millan MJ. Stereoselective and region-specific induction of immediate early gene expression in rat parietal cortex by blockade of neurokinin 1 receptors. J Psychopharmacol. 2006 Jul;20(4):570-6. Epub 2005 Oct 4. Erratum in: J Psychopharmacol. 2011 Jun;25(6):853. Millan, Mark [corrected to Millan, Mark J]. PubMed PMID: 16204322. 4: Michl T, Jocic M, Schuligoi R, Holzer P. Role of tachykinin receptors in the central processing of afferent input from the acid-threatened rat stomach. Regul Pept. 2001 Dec 15;102(2-3):119-26. PubMed PMID: 11730984. 5: Jocic M, Schuligoi R, Schöninkle E, Pabst MA, Holzer P. Cooperation of NMDA and tachykinin NK(1) and NK(2) receptors in the medullary transmission of vagal afferent input from the acid-threatened rat stomach. Pain. 2001 Jan;89(2-3):147-57. PubMed PMID: 11166470.