CCX140

Synopsis, Chemistry

DEVELOPMENTS

1 Drug(s) in Development

1 Drug(s) in Development

Product Search

API SUPPLIERS

API Suppliers

US DMFs Filed

CEP/COS Certifications

JDMFs Filed

Other Certificates

Other Suppliers

API REF. PRICE (USD / KG)

API Market Place

INTERMEDIATES

DOSSIERS // FDF

USA (Orange Book)

Europe

Canada

Australia

South Africa

Uploaded Dossiers

GLOBAL SALES (USD Million)

U.S. Medicaid

Annual Reports

FDF Market Place

EXCIPIENTS

PATENTS & EXCLUSIVITIES

USFDA Orange Book Patents

USFDA Exclusivities

DIGITAL CONTENT

Blog #PharmaFlow

News

REF STANDARD

EDQM

USP

Other Listed Suppliers

SERVICES

Also known as: 1100318-47-5, Ccx140, Ilacirnon, Ccx140-b, Ilacirnon [usan], Ccx-140

Molecular Formula

C₂₀H₁₃ClF₃N₅O₃S

Molecular Weight

495.9 g/mol

InChI Key

LUUMLYXKTPBTQR-UHFFFAOYSA-N

FDA UNII

380F68J5PH

CCX-140 is under investigation in clinical trial NCT01440257 (A Study to Evaluate the Effect of CCX140-B on Urinary Albumin Excretion in Subjects With Type 2 Diabetes and Albuminuria).

1 2D Structure

CCX140

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-chloro-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide

2.1.2 InChI

InChI=1S/C20H13ClF3N5O3S/c1-10-6-15(29-33(31,32)11-2-3-14(21)13(7-11)20(22,23)24)17(26-8-10)18(30)16-12-4-5-25-19(12)28-9-27-16/h2-9,29H,1H3,(H,25,27,28)

2.1.3 InChI Key

LUUMLYXKTPBTQR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC(=C(N=C1)C(=O)C2=C3C=CNC3=NC=N2)NS(=O)(=O)C4=CC(=C(C=C4)Cl)C(F)(F)F

2.2 Other Identifiers

2.2.1 UNII

380F68J5PH

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Ccx140-b

2.3.2 Depositor-Supplied Synonyms

1. 1100318-47-5

2. Ccx140

3. Ilacirnon

4. Ccx140-b

5. Ilacirnon [usan]

6. Ccx-140

7. Chembl2178573

8. 380f68j5ph

9. Mfcd30378911

10. 4-chloro-n-[5-methyl-2-(7h-pyrrolo[2,3-d]pyrimidine-4-carbonyl)pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide

11. 4-chloro-n-(5-methyl-2-(7h-pyrrolo(2,3-d)pyrimidin-4-ylcarbonyl)-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide

12. 4-chloro-n-(5-methyl-2-(7h-pyrrolo[2,3-d]pyrimidine-4-carbonyl)pyridin-3-yl)-3-(trifluoromethyl)benzenesulfonamide

13. Ilacirnon [inn]

14. Ccx140b

15. Schembl127113

16. Unii-380f68j5ph

17. Ccx-140b

18. Ccx140-bccx140-b

19. Gtpl11185

20. Ccx140b; Ccx140 B

21. Bcp25695

22. Ex-a2956

23. Ac1940

24. Bdbm50398343

25. Who 11339

26. Zinc43204193

27. Cs-6448

28. Example 5 [wo2009009740a1]

29. Ac-31374

30. Cs-12273

31. Sy044972

32. Db-106774

33. Hy-101713

34. 4-chloro-n-(5-methyl-2-(7h-pyrrolo[2,3-d]pyrimidine-4-carbonyl)pyridin-3-yl)-3-(trifluoromethyl)benzenesulfonamidedine-4-carbonyl)pyridin-3-yl)-3-(trifluoromethyl)benzenesulfonamide

35. 4-chloro-n-[5-methyl-2-(7h-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-pyridin-3-yl]-3-trifluoromethyl-benzenesulfonamide

36. Benzenesulfonamide, 4-chloro-n-(5-methyl-2-(7h-pyrrolo(2,3-d)pyrimidin-4-ylcarbonyl)-3-pyridinyl)-3-(trifluoromethyl)-

2.4 Create Date

2009-01-26

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₁₃ClF₃N₅O₃S
Molecular Weight	495.9 g/mol
XLogP3	4.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	5
Exact Mass	495.0379726 g/mol
Monoisotopic Mass	495.0379726 g/mol
Topological Polar Surface Area	126 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	827
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