Vofopitant dihydrochloride

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MedKoo CAT#: 575984

CAS#: 168266-51-1

Description: Vofopitant dihydrochloride is an NK1 receptor antagonist with antiemetic and anxiolytic effects.

Chemical Structure

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Vofopitant dihydrochloride
CAS# 168266-51-1
Instruction

Theoretical Analysis

MedKoo Cat#: 575984
Name: Vofopitant dihydrochloride
CAS#: 168266-51-1
Chemical Formula: C21H25Cl2F3N6O
Exact Mass: 504.14
Molecular Weight: 505.370
Elemental Analysis: C, 49.91; H, 4.99; Cl, 14.03; F, 11.28; N, 16.63; O, 3.17

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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Synonym: GR205171A; GR 205171A; GR-205171A; Vofopitant dihydrochloride; Vofopitant 2HCl

IUPAC/Chemical Name: 3-Piperidinamine, N-((2-methoxy-5-(5-(trifluoromethyl)-1H-tetrazol-1-yl)phenyl)methyl)-2-phenyl-, dihydrochloride, (2S-cis)-

InChi Key: YVNRXILPJNISEM-FFUVTKDNSA-N

InChi Code: InChI=1S/C21H23F3N6O.2ClH/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;2*1H/t17-,19-;;/m0../s1

SMILES Code: Cl.Cl.COc1ccc(cc1CN[C@H]2CCCN[C@H]2c3ccccc3)n4nnnc4C(F)(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

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:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 505.37 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.

Recalculate based on batch purity %
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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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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.