CAS 760937-92-6

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Also known as: 760937-92-6, Teneligliptin [inn], Teliglietin, [(2s,4s)-4-[4-(5-methyl-2-phenylpyrazol-3-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone, Mp-513, Teneligliptin hydrobromide

Molecular Formula

C₂₂H₃₀N₆OS

Molecular Weight

426.6 g/mol

InChI Key

WGRQANOPCQRCME-PMACEKPBSA-N

FDA UNII

28ZHI4CF9C

Teneligliptin is a long-acting, orally bioavailable, pyrrolidine-based inhibitor of dipeptidyl peptidase 4 (DPP-4), with hypoglycemic activity. Teneligliptin may also reduce plasma triglyceride levels through a sustained increase in GLP-1 levels.

1 2D Structure

CAS 760937-92-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(2S,4S)-4-[4-(5-methyl-2-phenylpyrazol-3-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone

2.1.2 InChI

InChI=1S/C22H30N6OS/c1-17-13-21(28(24-17)18-5-3-2-4-6-18)26-9-7-25(8-10-26)19-14-20(23-15-19)22(29)27-11-12-30-16-27/h2-6,13,19-20,23H,7-12,14-16H2,1H3/t19-,20-/m0/s1

2.1.3 InChI Key

WGRQANOPCQRCME-PMACEKPBSA-N

2.1.4 Canonical SMILES

CC1=NN(C(=C1)N2CCN(CC2)C3CC(NC3)C(=O)N4CCSC4)C5=CC=CC=C5

2.1.5 Isomeric SMILES

CC1=NN(C(=C1)N2CCN(CC2)[C@H]3C[C@H](NC3)C(=O)N4CCSC4)C5=CC=CC=C5

2.2 Other Identifiers

2.2.1 UNII

28ZHI4CF9C

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 3-(4-(4-(3-methyl-1-phenyl-1h-pyrazol-5-yl)piperazin-1-yl)pyrrolidin-2-ylcarbonyl)thiazolidine

2.3.2 Depositor-Supplied Synonyms

1. 760937-92-6

2. Teneligliptin [inn]

3. Teliglietin

4. [(2s,4s)-4-[4-(5-methyl-2-phenylpyrazol-3-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone

5. Mp-513

6. Teneligliptin Hydrobromide

7. 28zhi4cf9c

8. Chembl2147777

9. Teneligliptin (inn)

10. 906093-29-6

11. {(2s,4s)-4-[4-(3-methyl-1-phenyl-1h-pyrazol-5-yl)piperazin-1-yl]pyrrolidin-2-yl}(1,3-thiazolidin-3-yl)methanone

12. Unii-28zhi4cf9c

13. Teneli

14. ((2s,4s)-4-(4-(3-methyl-1-phenyl-1h-pyrazol-5-yl)piperazin-1-yl)pyrrolidin-2-yl)(1,3-thiazolidin-3-yl)methanone

15. Cs-0882

16. Teneligliptin [mi]

17. Schembl161778

18. Teneligliptin [who-dd]

19. Gtpl9906

20. Dtxsid30997419

21. Chebi:136042

22. Mp513

23. Amy40806

24. Bdbm50391565

25. Mfcd13195565

26. Zinc36520254

27. Akos025401965

28. Db11950

29. Compound 8g [pmid: 22959556]

30. Ncgc00378896-02

31. Ncgc00378896-03

32. Ncgc00378896-04

33. ((2s,4s)-4-(4-(3-methyl-1-phenyl-1h-pyrazol-5-yl)piperazin-1-yl)pyrrolidin-2-yl)(thiazolidin-3-yl)methanone

34. Ac-27649

35. As-83281

36. Hy-14806

37. D08616

38. 937t926

39. Teneligliptin (contain Around 5% Hexanes)

40. Q15269678

41. ((2s,4s)-4-(4-(3-methyl-1-phenyl-1h-pyrazol-5-yl)piperazin-1-yl)pyrrolidin-2-yl)(thiazolidin-3-yl)methanone Hydrobromide

42. {4-[4-(3-methyl-1-phenyl-1h-pyrazol-5-yl)piperazin-1-yl]pyrrolidin-2-yl}(1,3-thiazolidin-3-yl)methanone

43. 3-{(2s,4s)-4-[4-(3-methyl-1-phenyl-1h-pyrazol-5-yl)piperazin-1-yl]pyrrolidin-2-ylcarbonyl}thiazolidine

44. M51

2.4 Create Date

2006-11-20

3 Chemical and Physical Properties

Molecular Formula	C₂₂H₃₀N₆OS
Molecular Weight	426.6 g/mol
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	426.22018078 g/mol
Monoisotopic Mass	426.22018078 g/mol
Topological Polar Surface Area	81.9 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	594
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1