V-116517 | CAS#1073616-61-1 | TRPV1 Antagonist

MedKoo Cat#: 528814 | Name: V-116517

Description:

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

V-116517 is a TRPV1 antagonist potentially for the treatment of severe pain due to osteoarthritis and chronic pain due postherpetic neuralgia (PHN).

Chemical Structure

V-116517

CAS#1073616-61-1

Theoretical Analysis

MedKoo Cat#: 528814

Name: V-116517

CAS#: 1073616-61-1

Chemical Formula: C19H18ClF3N4O3

Exact Mass: 442.1020

Molecular Weight: 442.82

Elemental Analysis: C, 51.54; H, 4.10; Cl, 8.01; F, 12.87; N, 12.65; O, 10.84

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.

Bulk Inquiry

Related CAS #

No Data

Synonym

V-116517; V116517; V 116517

IUPAC/Chemical Name

(S)-3-chloro-5-(1,2-dihydroxyethyl)-N-(5-(trifluoromethyl)pyridin-2-yl)-3',6'-dihydro-[2,4'-bipyridine]-1'(2'H)-carboxamide

InChi Key

BMWVHVOIXZOJTJ-OAHLLOKOSA-N

InChi Code

InChI=1S/C19H18ClF3N4O3/c20-14-7-12(15(29)10-28)8-25-17(14)11-3-5-27(6-4-11)18(30)26-16-2-1-13(9-24-16)19(21,22)23/h1-3,7-9,15,28-29H,4-6,10H2,(H,24,26,30)/t15-/m1/s1

SMILES Code

O=C(N1CC=C(C2=NC=C([C@H](O)CO)C=C2Cl)CC1)NC3=NC=C(C(F)(F)F)C=C3

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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 442.82 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: Arendt-Nielsen L, Harris S, Whiteside GT, Hummel M, Knappenberger T, OʼKeefe S, Kapil R, Kyle D. A randomized, double-blind, positive-controlled, 3-way cross-over human experimental pain study of a TRPV1 antagonist (V116517) in healthy volunteers and comparison with preclinical profile. Pain. 2016 Sep;157(9):2057-67. doi: 10.1097/j.pain.0000000000000610. PubMed PMID: 27168361. 2: Tafesse L, Kanemasa T, Kurose N, Yu J, Asaki T, Wu G, Iwamoto Y, Yamaguchi Y, Ni C, Engel J, Tsuno N, Patel A, Zhou X, Shintani T, Brown K, Hasegawa T, Shet M, Iso Y, Kato A, Kyle DJ. Structure-activity relationship studies and discovery of a potent transient receptor potential vanilloid (TRPV1) antagonist 4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridyl]-N-[5-(trifluoromethyl)-2-pyrid yl]-3,6-dihydro-2H-pyridine-1-carboxamide (V116517) as a clinical candidate for pain management. J Med Chem. 2014 Aug 14;57(15):6781-94. doi: 10.1021/jm500818a. Epub 2014 Aug 1. PubMed PMID: 25057800.