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Also known as: Mbx-2982, 1037792-44-1, Mbx2982, 2-[1-(5-ethylpyrimidin-2-yl)-4-piperidyl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]thiazole, B5try67l51, Chembl3260505

Molecular Formula

C₂₂H₂₄N₈OS

Molecular Weight

448.5 g/mol

InChI Key

NFTMKHWBOINJGM-UHFFFAOYSA-N

FDA UNII

B5TRY67L51

MBX-2982 has been used in trials studying the treatment of Diabetes.

1 2D Structure

MBX-2982

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole

2.1.2 InChI

InChI=1S/C22H24N8OS/c1-2-16-11-23-22(24-12-16)29-9-7-17(8-10-29)21-26-18(14-32-21)13-31-20-5-3-19(4-6-20)30-15-25-27-28-30/h3-6,11-12,14-15,17H,2,7-10,13H2,1H3

2.1.3 InChI Key

NFTMKHWBOINJGM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCC1=CN=C(N=C1)N2CCC(CC2)C3=NC(=CS3)COC4=CC=C(C=C4)N5C=NN=N5

2.2 Other Identifiers

2.2.1 UNII

B5TRY67L51

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Mbx-2982

2.3.2 Depositor-Supplied Synonyms

1. Mbx-2982

2. 1037792-44-1

3. Mbx2982

4. 2-[1-(5-ethylpyrimidin-2-yl)-4-piperidyl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]thiazole

5. B5try67l51

6. Chembl3260505

7. 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole

8. Pyrimidine, 5-ethyl-2-(4-(4-((4-(1h-tetrazol-1-yl)phenoxy)methyl)-2-thiazolyl)-1-piperidinyl)-

9. Mbx 2982

10. Unii-b5try67l51

11. Cs-0745

12. Schembl1118326

13. Gtpl10166

14. Dtxsid20146055

15. Hms3747k07

16. Amy39989

17. Bcp04581

18. Ex-a1003

19. Bdbm50013909

20. Mfcd22628771

21. Zinc73069252

22. Akos025405273

23. Bcp9000011

24. Db12345

25. Pb15589

26. Sar-260093

27. Ncgc00378849-03

28. Ac-28445

29. Hy-15291

30. Mbx2982 / Mbx-2982

31. Bcp0726000038

32. J-690013

33. Q27274408

34. 4-((4-(1h-tetrazol-1-yl)phenyl1h-tetrazol-1-yl)phenoxy)methyl)-2-(1-(5-ethylpyrimidin-2-yl)piperidin-4-yl)thiazole

35. 5-ethyl-2-[4-[4-[[[4-(1h-tetrazol-1-yl)phenyl]oxy]methyl]thiazol-2-yl]piperidin-1-yl]pyrimidine

2.4 Create Date

2008-11-17

3 Chemical and Physical Properties

Molecular Formula	C₂₂H₂₄N₈OS
Molecular Weight	448.5 g/mol
XLogP3	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	7
Exact Mass	448.17937859 g/mol
Monoisotopic Mass	448.17937859 g/mol
Topological Polar Surface Area	123 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	564
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