DRL offers a portfolio of products & services, including APIs, CMO services, generics, biosimilars & differentiated formulations.

Contact Supplier

Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

DEVELOPMENTS

14 Drugs in Development

14 Drugs in Development

INTERMEDIATES

1 Intermediates Suppliers

1 Intermediates Suppliers

DIGITAL CONTENT

1 STOCK RECAP #PipelineProspector, 6 NEWS #PharmaBuzz

media
1 STOCK RECAP #PipelineProspector
6 NEWS #PharmaBuzz

Synopsis

ACTIVE PHARMA INGREDIENTS

API Suppliers

USDMF

CEP/COS

JDMF

EU WC

KDMF

NDC API

VMF

Listed Suppliers

API REF. PRICE (USD/KG)

$ 0

MARKET PLACE

API

FDF

FINISHED DOSAGE FORMULATIONS

FDF Dossiers

FDA Orange Book

Europe

Canada

Australia

South Africa

Listed Dossiers

DRUG PRODUCT COMPOSITIONS

REF. STANDARDS OR IMPURITIES

EDQM

USP

Others

PATENTS & EXCLUSIVITIES

US Patents

US Exclusivities

Health Canada Patents

DIGITAL CONTENT

Data Compilation #PharmaFlow

Stock Recap #PipelineProspector

Weekly News Recap #Phispers

News #PharmaBuzz

GLOBAL SALES INFORMATION

US Medicaid (USD)

Annual Reports (USD Million)

Finished Drug Prices

0RELATED EXCIPIENT COMPANIES

0EXCIPIENTS BY APPLICATIONS

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 622370-35-8, Ly686017, Vly-686, Ly-686017, Ny0coc51fi, (2-(1-(3,5-bis(trifluoromethyl)benzyl)-5-(pyridin-4-yl)-1h-1,2,3-triazol-4-yl)pyridin-3-yl)(2-chlorophenyl)methanone

Molecular Formula

C₂₈H₁₆ClF₆N₅O

Molecular Weight

587.9 g/mol

InChI Key

CAVRKWRKTNINFF-UHFFFAOYSA-N

FDA UNII

NY0COC51FI

Tradipitant is an orally bioavailable, centrally-acting, selective, neurokinin 1 receptor (NK1-receptor; NK1R; NK-1R) antagonist with potential anti-emetic, anti-pruritic and anti-inflammatory activities. Upon oral administration, tradipitant competitively binds to and blocks the activity of the NK1R in the central nervous system (CNS), thereby inhibiting the binding of the endogenous ligand and neuropeptide, substance P (SP; neurokinin-1; NK1). This inhibits SP/NK1-mediated signal transduction and may prevent both SP-induced emesis and pruritis. In addition, inhibition of SP/NK1R signaling also reduces neurogenic inflammation which is triggered by the release of neuropeptides, such as substance P, from nerve cells. NK1R is a G protein-coupled receptor (GPCR) that preferentially binds to SP, a neuropeptide secreted by neuronal cells and inflammatory cells.

1 2D Structure

Tradipitant

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[2-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-pyridin-4-yltriazol-4-yl]pyridin-3-yl]-(2-chlorophenyl)methanone

2.1.2 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

2.1.3 InChI Key

CAVRKWRKTNINFF-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C(=C1)C(=O)C2=C(N=CC=C2)C3=C(N(N=N3)CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C5=CC=NC=C5)Cl

2.2 Other Identifiers

2.2.1 UNII

NY0COC51FI

2.3 Synonyms

2.3.1 MeSH Synonyms

1. (2-chloro-phenyl)-(2-(5-pyridin-4-yl-1-(3,5-bistrifluoromethyl-benzyl)-1h-(1,2,3)triazol-4-yl)pyridin-3-yl)methanone

2. Ly686017

2.3.2 Depositor-Supplied Synonyms

1. 622370-35-8

2. Ly686017

3. Vly-686

4. Ly-686017

5. Ny0coc51fi

6. (2-(1-(3,5-bis(trifluoromethyl)benzyl)-5-(pyridin-4-yl)-1h-1,2,3-triazol-4-yl)pyridin-3-yl)(2-chlorophenyl)methanone

7. [2-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-pyridin-4-yltriazol-4-yl]pyridin-3-yl]-(2-chlorophenyl)methanone

8. Methanone, (2-(1-((3,5-bis(trifluoromethyl)phenyl)methyl)-5-(4-pyridinyl)-1h-1,2,3-triazol-4-yl)-3-pyridinyl)(2-chlorophenyl)-

9. Unii-ny0coc51fi

10. Tradipitant [usan:inn]

11. Tradipitant [usan]

12. Tradipitant(vly-686)

13. Tradipitant [inn]

14. Tradipitant (usan/inn)

15. Tradipitant [who-dd]

16. Gtpl9278

17. Schembl2898629

18. Vly686

19. Chembl3544984

20. Vly 686

21. Dtxsid801045805

22. Bcp30446

23. Mfcd28127604

24. Zinc43194077

25. Cs-8056

26. Db12580

27. Sb18893

28. Ac-36943

29. As-35293

30. Da-31788

31. Hy-16732

32. Ly 686017

33. Ft-0703806

34. A16918

35. D11728

36. A915947

37. Q1798493

38. Ly686017; Ly 686017; Ly686017; Vly 686; Vly686; Vly686

39. (2-(1-(3,5-bis(trifluoromethyl)benzyl)-5-pyridin-4-yl-1h-1,2,3-triazol-4-yl)pyridin-3-yl)(2-chlorophenyl)methanone

40. {2-[1-(3,5-bis-trifluoromethyl-benzyl)-5-pyridin-4-yl-1h-[1,2,3]triazol-4-yl]-pyridin-3-yl}-(2-chloro-phenyl)-methanone

41. {2-[1-(3,5-bistrifluoromethylbenzyl)-5-pyridin-4-yl-1h-[1,2,3]triazol-4-yl ]-pyridin-3-yl}-(2-chlorophenyl)-methanone

42. {2-[1-(3,5-bistrifluoromethylbenzyl)-5-pyridin-4-yl-1h-[1,2,3]triazol-4-yl]-pyridin-3-yl}-(2-chlorophenyl)-methanone

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₂₈H₁₆ClF₆N₅O
Molecular Weight	587.9 g/mol
XLogP3	6.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	6
Exact Mass	587.0947568 g/mol
Monoisotopic Mass	587.0947568 g/mol
Topological Polar Surface Area	73.6 Å²
Heavy Atom Count	41
Formal Charge	0
Complexity	865
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1