Tradipitant

Tradipitant
Legal status
Legal status	Investigational;
Identifiers
	IUPAC name (2-(1-(3,5-Bis(trifluoromethyl)benzyl)-5-(pyridin-4-yl)-1H-1,2,3-triazol-4-yl)pyridin-3-yl)(2-chlorophenyl)methanone;
CAS Number	622370-35-8;
PubChem CID	9916461;
ChemSpider	8092108;
UNII	NY0COC51FI;
KEGG	D11728;
CompTox Dashboard (EPA)	DTXSID801045805 ;
Chemical and physical data
Formula	C28H16ClF6N5O
Molar mass	587.91 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES Clc1ccccc1C(=O)c2c(nccc2)c3nnn(c3c4ccncc4)Cc5cc(cc(c5)C(F)(F)F)C(F)(F)F;
	InChI InChI=1S/C28H16ClF6N5O/c29-22-6-2-1-4-20(22)26(41)21-5-3-9-37-23(21)24-25(17-7-10-36-11-8-17)40(39-38-24)15-16-12-18(27(30,31)32)14-19(13-16)28(33,34)35/h1-14H,15H2; Key:CAVRKWRKTNINFF-UHFFFAOYSA-N;

Tradipitant (VLY-686 or LY686017) is an experimental drug that is a neurokinin 1 antagonist. It works by blocking substance P, a small signaling molecule. Originally, this compound was owned by Eli Lilly and named LY686017. VLY-686 was purchased by Vanda Pharmaceuticals from Eli Lilly and Company in 2012. Vanda Pharmaceuticals is a U.S. pharmaceutical company that as of November 2015 only has three drugs in their product pipeline: tasimelteon, VLY-686, and iloperidone.

Legal status

Legal status	Investigational
Identifiers
IUPAC name (2-(1-(3,5-Bis(trifluoromethyl)benzyl)-5-(pyridin-4-yl)-1H-1,2,3-triazol-4-yl)pyridin-3-yl)(2-chlorophenyl)methanone
CAS Number	622370-35-8
PubChem CID	9916461
ChemSpider	8092108
UNII	NY0COC51FI
KEGG	D11728
CompTox Dashboard (EPA)	DTXSID801045805
Chemical and physical data
Formula	C₂₈H₁₆ClF₆N₅O
Molar mass	587.91 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES Clc1ccccc1C(=O)c2c(nccc2)c3nnn(c3c4ccncc4)Cc5cc(cc(c5)C(F)(F)F)C(F)(F)F
InChI InChI=1S/C28H16ClF6N5O/c29-22-6-2-1-4-20(22)26(41)21-5-3-9-37-23(21)24-25(17-7-10-36-11-8-17)40(39-38-24)15-16-12-18(27(30,31)32)14-19(13-16)28(33,34)35/h1-14H,15H2 Key:CAVRKWRKTNINFF-UHFFFAOYSA-N