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Chemistry

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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
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 Weight 587.9 g/mol
Molecular Formula C28H16ClF6N5O
XLogP36.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Exact Mass587.0947568 g/mol
Monoisotopic Mass587.0947568 g/mol
Topological Polar Surface Area73.6 Ų
Heavy Atom Count41
Formal Charge0
Complexity865
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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ABOUT THIS PAGE

Tradipitant Manufacturers

A Tradipitant manufacturer is defined as any person or entity involved in the manufacture, preparation, processing, compounding or propagation of Tradipitant, including repackagers and relabelers. The FDA regulates Tradipitant manufacturers to ensure that their products comply with relevant laws and regulations and are safe and effective to use. Tradipitant API Manufacturers are required to adhere to Good Manufacturing Practices (GMP) to ensure that their products are consistently manufactured to meet established quality criteria.

Tradipitant Suppliers

A Tradipitant supplier is an individual or a company that provides Tradipitant active pharmaceutical ingredient (API) or Tradipitant finished formulations upon request. The Tradipitant suppliers may include Tradipitant API manufacturers, exporters, distributors and traders.

Tradipitant GMP

Tradipitant Active pharmaceutical ingredient (API) is produced in GMP-certified manufacturing facility.

GMP stands for Good Manufacturing Practices, which is a system used in the pharmaceutical industry to make sure that goods are regularly produced and monitored in accordance with quality standards. The FDA’s current Good Manufacturing Practices requirements are referred to as cGMP or current GMP which indicates that the company follows the most recent GMP specifications. The World Health Organization (WHO) has its own set of GMP guidelines, called the WHO GMP. Different countries can also set their own guidelines for GMP like China (Chinese GMP) or the EU (EU GMP).

PharmaCompass offers a list of Tradipitant GMP manufacturers, exporters & distributors, which can be sorted by USDMF, JDMF, KDMF, CEP (COS), WC, API price, and more, enabling you to easily find the right Tradipitant GMP manufacturer or Tradipitant GMP API supplier for your needs.

Tradipitant CoA

A Tradipitant CoA (Certificate of Analysis) is a formal document that attests to Tradipitant's compliance with Tradipitant specifications and serves as a tool for batch-level quality control.

Tradipitant CoA mostly includes findings from lab analyses of a specific batch. For each Tradipitant CoA document that a company creates, the USFDA specifies specific requirements, such as supplier information, material identification, transportation data, evidence of conformity and signature data.

Tradipitant may be tested according to a variety of international standards, such as European Pharmacopoeia (Tradipitant EP), Tradipitant JP (Japanese Pharmacopeia) and the US Pharmacopoeia (Tradipitant USP).

Inform the supplier about your product requirements, specifying if you need a product with particular monograph like EP (Ph. Eur.), USP, JP, BP, or any other quality. In addition, clarify whether you need hydrochloride (HCl), anhydricum, base, micronisatum or a specific level of purity. To find reputable suppliers, utilize the filters and select those certified by GMP, FDA, or any other certification as per your requirement.
For your convenience, we have listed synonyms and CAS numbers to help you find the best supplier. The use of synonyms and CAS numbers can be helpful in identifying potential suppliers, but it is crucial to note that they might not always indicate the exact same product. It is important to confirm the product details with the supplier before making a purchase to ensure that it meets your requirements.
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