Evogliptin

Synopsis, Chemistry

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Also known as: Da-1229, Evogliptin [inn], 1222102-29-5, Chembl1779710, Evogliptin (inn), Da1229

Molecular Formula

C₁₉H₂₆F₃N₃O₃

Molecular Weight

401.4 g/mol

InChI Key

LCDDAGSJHKEABN-MLGOLLRUSA-N

FDA UNII

09118300L7

Evogliptin has been used in trials studying the treatment and screening of Osteoporosis, Renal Impairment, Type 2 Diabetes Mellitus, Diabetes Mellitis Type 2, and Diabetes Mellitus, Type 2.

1 2D Structure

Evogliptin

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one

2.1.2 InChI

InChI=1S/C19H26F3N3O3/c1-19(2,3)28-10-16-18(27)24-4-5-25(16)17(26)8-12(23)6-11-7-14(21)15(22)9-13(11)20/h7,9,12,16H,4-6,8,10,23H2,1-3H3,(H,24,27)/t12-,16-/m1/s1

2.1.3 InChI Key

LCDDAGSJHKEABN-MLGOLLRUSA-N

2.1.4 Canonical SMILES

CC(C)(C)OCC1C(=O)NCCN1C(=O)CC(CC2=CC(=C(C=C2F)F)F)N

2.1.5 Isomeric SMILES

CC(C)(C)OC[C@@H]1C(=O)NCCN1C(=O)C[C@@H](CC2=CC(=C(C=C2F)F)F)N

2.2 Other Identifiers

2.2.1 UNII

09118300L7

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 4-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-3-(tert-butoxymethyl)piperazin-2-one

2. Da 1229

3. Da-1229

4. Da1229

2.3.2 Depositor-Supplied Synonyms

1. Da-1229

2. Evogliptin [inn]

3. 1222102-29-5

4. Chembl1779710

5. Evogliptin (inn)

6. Da1229

7. (r)-4-((r)-3-amino-4-(2,4,5-trifluorophenyl)-butanoyl)-3-(t-butoxymethyl)-piperazin-2-one

8. (r)-4-((r)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-3-(tert-butoxymethyl)piperazin-2-one

9. 2-piperazinone, 4-((3r)-3-amino-1-oxo-4-(2,4,5-trifluorophenyl)butyl)-3-((1,1-dimethylethoxy)methyl)-, (3r)-

10. 09118300l7

11. (r)-4-((r)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-3-(tert-butoxymethyl)piperazine-2-one

12. Unii-09118300l7

13. Evogliptin [who-dd]

14. Schembl343846

15. Dtxsid00153545

16. Bdbm50344779

17. Db12625

18. Hy-117985

19. Cs-0068793

20. C92448

21. D11023

22. Q25103700

23. (r)-4-[(r)-3-amino-4-(2,4,5-trifluorophenyl) Butanoyl]-3-(t-butoxymethyl)piperazin-2-one

24. (r)-4-[(r)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(t-butoxymethy)piperazin-2-one

25. (3r)-4-[(3r)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(tert-butoxymethyl)piperazin-2-one

26. (3r)-4-[(3r)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one

27. (r)-4-[(r)-3-amino-4-(2,4,5-trifluorophenyl) Butanoyl]-3-(t-butoxymethyl)piperazine-2-one

28. 8vu

2.4 Create Date

2008-11-10

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₂₆F₃N₃O₃
Molecular Weight	401.4 g/mol
XLogP3	1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	401.19262619 g/mol
Monoisotopic Mass	401.19262619 g/mol
Topological Polar Surface Area	84.7 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	558
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