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V-116517

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

MedKoo CAT#: 528814

CAS#: 1073616-61-1

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


Price and Availability

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V-116517 is not in stock, but may be available through custom synthesis. For cost-effective reason, minimum 1 gram order is requested. The product will be characterized by NMR, HPLC and MS analysis. Purity (HPLC) is usually >98%. CoA, QC data, MSDS will be provided when product is successfully made. The estimated lead time is 2-3 months. Please send email to sales@medkoo.com to inquire quote.


Chemical Structure

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Theoretical Analysis

MedKoo Cat#: 528814
Name: V-116517
CAS#: 1073616-61-1
Chemical Formula: C19H18ClF3N4O3
Exact Mass: 442.102
Molecular Weight: 442.82
Elemental Analysis: C, 51.54; H, 4.10; Cl, 8.01; F, 12.87; N, 12.65; O, 10.84


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


Technical Data

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).

Harmonized System Code:
293490


References

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.