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

6 Drugs in Development

6 Drugs in Development

DIGITAL CONTENT

4 NEWS #PharmaBuzz

media
4 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

0INTERMEDIATES

FINISHED DOSAGE FORMULATIONS

FDF Dossiers

FDA Orange Book

Europe

Canada

Australia

South Africa

Listed Dossiers

6DRUGS IN DEVELOPMENT

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: 848141-11-7, Alvelestat (azd9668), Alvelestat [inn], Alvelestat; azd 9668, Avelestat-azd9668, Azd 9668

Molecular Formula

C₂₅H₂₂F₃N₅O₄S

Molecular Weight

545.5 g/mol

InChI Key

QNQZWEGMKJBHEM-UHFFFAOYSA-N

FDA UNII

6Y5629322X

Alvelestat is an orally bioavailable, selective and reversible inhibitor of human neutrophil elastase (NE), with potential anti-inflammatory activity. Upon administration, alvelestat binds to and inhibits the activity of human NE. This inhibits NE-mediated inflammatory responses, which may prevent lung inflammation and injury, and may improve lung function associated with NE-induced respiratory diseases. NE, a serine protease released by neutrophils during inflammation, is upregulated in a number of respiratory diseases.

1 2D Structure

Alvelestat

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6-methyl-5-(2-methylpyrazol-3-yl)-N-[(5-methylsulfonylpyridin-2-yl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

2.1.2 InChI

InChI=1S/C25H22F3N5O4S/c1-15-20(22-9-10-31-32(22)2)12-21(23(34)30-13-17-7-8-19(14-29-17)38(3,36)37)24(35)33(15)18-6-4-5-16(11-18)25(26,27)28/h4-12,14H,13H2,1-3H3,(H,30,34)

2.1.3 InChI Key

QNQZWEGMKJBHEM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C=C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)C(=O)NCC3=NC=C(C=C3)S(=O)(=O)C)C4=CC=NN4C

2.2 Other Identifiers

2.2.1 UNII

6Y5629322X

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Azd9668

2. N-((5-(methanesulfonyl)pyridin-2-yl)methyl)-6-methyl-5-(1-methyl-1h-pyrazol-5-yl)-2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2-dihydropyridine-3-carboxamide

2.3.2 Depositor-Supplied Synonyms

1. 848141-11-7

2. Alvelestat (azd9668)

3. Alvelestat [inn]

4. Alvelestat; Azd 9668

5. Avelestat-azd9668

6. Azd 9668

7. Azd-9668

8. Azd9668

9. Azd9668;azd-9668;azd 9668

10. Alvelestat (azd9688)

11. Mph966

12. Chembl3617964

13. Mph-966

14. 6-methyl-5-(1-methyl-1h-pyrazol-5-yl)-n-((5-(methylsulfonyl)pyridin-2-yl)methyl)-2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2-dihydropyridine-3-carboxamide

15. N-((5-(methanesulfonyl)pyridin-2-yl)methyl)-6-methyl-5-(1-methyl-1h-pyrazol-5-yl)-2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2-dihydropyridine-3-carboxamide

16. 6y5629322x

17. 6-methyl-5-(2-methylpyrazol-3-yl)-n-[(5-methylsulfonylpyridin-2-yl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

18. Avelestat

19. 3-pyridinecarboxamide, 1,2-dihydro-6-methyl-5-(1-methyl-1h-pyrazol-5-yl)-n-[[5-(methylsulfonyl)-2-pyridinyl]methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]-

20. Unii-6y5629322x

21. 3-pyridinecarboxamide, 1,2-dihydro-6-methyl-5-(1-methyl-1h-pyrazol-5-yl)-n-((5-(methylsulfonyl)-2-pyridinyl)methyl)-2-oxo-1-(3-(trifluoromethyl)phenyl)-

22. 6-methyl-5-(1-methyl-1h-pyrazol-5-yl)-n-((5-(methylsulfonyl)pyridin-2-yl)methyl)-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2-dihydropyridine-3-carboxamide

23. 6-methyl-5-(1-methyl-1h-pyrazol-5-yl)-n-{[5-(methylsulfonyl)pyridin-2-yl]methyl}-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2-dihydropyridine-3-carboxamide

24. N-{[5-(methanesulfonyl)pyridin-2-yl]methyl}-6-methyl-5-(1-methyl-1h-pyrazol-5-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2-dihydropyridine-3-carboxamide

25. Alvelestat [who-dd]

26. Schembl560757

27. Gtpl6476

28. Dtxsid40233875

29. Bcp07945

30. Ex-a2004

31. Alvelestat (azd848141-11-7

32. Bdbm50120430

33. Zinc72316197

34. Cs-1684

35. Db11863

36. Sb19590

37. Ncgc00378593-01

38. Ncgc00378593-04

39. Ncgc00378593-05

40. Ncgc00378593-07

41. Ncgc00378593-08

42. Ac-32671

43. As-56012

44. Da-35310

45. Hy-15651

46. Kb-105160

47. Ft-0722953

48. C76706

49. Q27074417

50. N-[(5-methanesulfonylpyridin-2-yl)methyl]-6-methyl-5-(1-methyl-1h-pyrazol-5-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2-dihydropyridine-3-carboxamide

2.4 Create Date

2010-09-07

3 Chemical and Physical Properties

Molecular Formula	C₂₅H₂₂F₃N₅O₄S
Molecular Weight	545.5 g/mol
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	6
Exact Mass	545.13445986 g/mol
Monoisotopic Mass	545.13445986 g/mol
Topological Polar Surface Area	123 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	1100
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