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Chemistry

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Also known as: 1262132-81-9, Jtz-951, Jtz 951, Enarodustat [inn], Jsk7tua223, 2-[[7-oxo-5-(2-phenylethyl)-3h-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid

Molecular Formula

C₁₇H₁₆N₄O₄

Molecular Weight

340.33 g/mol

InChI Key

FJYRBJKWDXVHHO-UHFFFAOYSA-N

FDA UNII

JSK7TUA223

Enarodustat is under investigation in clinical trial NCT02581124 (Study to Evaluate Effect of Lapatinib on Pharmacokinetics of JTZ-951 in Subjects With End-stage Renal Disease).

1 2D Structure

Enarodustat

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[[7-oxo-5-(2-phenylethyl)-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acid

2.1.2 InChI

InChI=1S/C17H16N4O4/c22-13-8-12(7-6-11-4-2-1-3-5-11)21-16(19-10-20-21)15(13)17(25)18-9-14(23)24/h1-5,8,10H,6-7,9H2,(H,18,25)(H,19,20)(H,23,24)

2.1.3 InChI Key

FJYRBJKWDXVHHO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)CCC2=CC(=O)C(=C3N2NC=N3)C(=O)NCC(=O)O

2.2 Other Identifiers

2.2.1 UNII

JSK7TUA223

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Glycine, N-((7-hydroxy-5-(2-phenylethyl)(1,2,4)triazolo(1,5-a)pyridin-8-yl)carbonyl)-

2. Jtz-951

3. N-((7-hydroxy-5-(2-phenylethyl)(1,2,4)triazolo(1,5-a)pyridin-8-yl)carbonyl)glycine

2.3.2 Depositor-Supplied Synonyms

1. 1262132-81-9

2. Jtz-951

3. Jtz 951

4. Enarodustat [inn]

5. Jsk7tua223

6. 2-[[7-oxo-5-(2-phenylethyl)-3h-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic Acid

7. Enarodustat (jan)

8. Enarodustat [jan]

9. (7-hydroxy-5-phenethyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)glycine

10. 2-(7-hydroxy-5-phenethyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamido)acetic Acid

11. Glycine, N-((7-hydroxy-5-(2-phenylethyl)(1,2,4)triazolo(1,5-a)pyridin-8-yl)carbonyl)-

12. Enaroy

13. Enarodustat (jtz-951)

14. Unii-jsk7tua223

15. Enarodustat [who-dd]

16. Jtz951

17. Schembl1481440

18. Chembl4297619

19. Gtpl11828

20. Jtz-951jtz-951

21. C17h16n4o4

22. Dtxsid901336902

23. Ex-a4798

24. S9656

25. Akos040741697

26. Db14985

27. Compound 14 [pmid: 29259755]

28. Ac-36543

29. Bj162590

30. Ms-25187

31. Hy-109057

32. Cs-0031647

33. D11523

34. N-((7-hydroxy-5-(2-phenylethyl)(1,2,4)triazolo(1,5-a)pyridin-8-yl)carbonyl)glycine

35. 1494680-11-3

36. 2-{[7-oxo-5-(2-phenylethyl)-3h,7h-[1,2,4]triazolo[1,5-a]pyridin-8-yl]formamido}acetic Acid

2.4 Create Date

2011-02-28

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₁₆N₄O₄
Molecular Weight	340.33 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	111
Heavy Atom Count	25
Formal Charge	0
Complexity	674
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