Also known as: Fgf401, 1708971-55-4, Fgf-401, Roblitinib [inn], N-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2h-1,8-naphthyridine-1-carboxamide, M64jf6wmsa

Molecular Formula

C₂₅H₃₀N₈O₄

Molecular Weight

506.6 g/mol

InChI Key

BHKDKKZMPODMIQ-UHFFFAOYSA-N

FDA UNII

M64JF6WMSA

Roblitinib is an inhibitor of human fibroblast growth factor receptor 4 (FGFR4), with potential antineoplastic activity. Upon administration, roblitinib binds to and inhibits the activity of FGFR4, which leads to an inhibition of tumor cell proliferation in FGFR4-overexpressing cells. FGFR4 is a receptor tyrosine kinase upregulated in certain tumor cells and involved in tumor cell proliferation, differentiation, angiogenesis, and survival.

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

2.1.2 InChI

InChI=1S/C25H30N8O4/c1-31-7-8-32(23(35)15-31)14-18-10-17-4-3-6-33(24(17)29-21(18)16-34)25(36)30-22-11-20(27-5-9-37-2)19(12-26)13-28-22/h10-11,13,16H,3-9,14-15H2,1-2H3,(H2,27,28,30,36)

2.1.3 InChI Key

BHKDKKZMPODMIQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1CCN(C(=O)C1)CC2=C(N=C3C(=C2)CCCN3C(=O)NC4=NC=C(C(=C4)NCCOC)C#N)C=O

2.2 Other Identifiers

2.2.1 UNII

M64JF6WMSA

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 7-formyl-6-(4-methyl-2-oxo-piperazin-1-ylmethyl)-3,4-dihydro-2h-(1,8)naphthyridine-1-carboxylic Acid (5-cyano-4-(2-methoxy-ethylamino)-pyridin-2-yl)-amide

2. Fgf401

3. N-(5-cyano-4-(2-methoxyethylamino)pyridin-2-yl)-7-formyl-6-((4-methyl-2-oxopiperazin-1-yl)methyl)-3,4-dihydro-2h-1,8-naphthyridine-1-carboxamide

2.3.2 Depositor-Supplied Synonyms

1. Fgf401

2. 1708971-55-4

3. Fgf-401

4. Roblitinib [inn]

5. N-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2h-1,8-naphthyridine-1-carboxamide

6. M64jf6wmsa

7. Nvp-fgf401

8. N-(5-cyano-4-((2-methoxyethyl)amino)pyridin-2-yl)-7-formyl-6-((4-methyl-2-oxopiperazin-1-yl)methyl)-3,4-dihydro-1,8-naphthyridine-1(2h)-carboxamide

9. Roblitinib; Fgf-401

10. Unii-m64jf6wmsa

11. Roblitinib [who-dd]

12. Nvp-fgf-401

13. Gtpl9768

14. Chembl3908979

15. Fgf 401 [who-dd]

16. Schembl16668840

17. Fgf 401

18. Bdbm209325

19. Amy39077

20. Bcp25143

21. Ex-a1341

22. Example 83 [us9266883]

23. Nsc804962

24. S8548

25. Fgf-401; Fgf 401; Roblitinib

26. Akos032946374

27. Zinc644165879

28. Ccg-269749

29. Cs-6853

30. Nsc-804962

31. Ac-29896

32. Bs-16207

33. Hy-101568

34. Us9266883, 83

35. A903440

36. Q29213614

37. N-(5-cyano-4-(2-methoxyethylamino)pyridin-2-yl)-7-formyl-6-((4-methyl-2-oxopiperazin-1-yl)methyl)-3,4-dihydro-1,8-naphthyridine-1(2h)-carboxamide

38. N-[5-cyano-4-[(2-methoxyethyl)amino]-2-pyridinyl]-7-formyl-3,4-dihydro-6-[(4-methyl-2-oxo-1-piperazinyl)methyl]-1,8-naphthyridine-1(2h)-carboxamide

39. Roblitinib;n-(5-cyano-4-((2-methoxyethyl)amino)pyridin-2-yl)-7-formyl-6-((4-methyl-2-oxopiperazin-1-yl)methyl)-3,4-dihydro-1,8-naphthyridine-1(2h)-carboxamide

2.4 Create Date

2016-02-23

3 Chemical and Physical Properties

Molecular Formula	C₂₅H₃₀N₈O₄
Molecular Weight	506.6 g/mol
XLogP3	0.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	8
Exact Mass	506.23900147 g/mol
Monoisotopic Mass	506.23900147 g/mol
Topological Polar Surface Area	144 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	865
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

Roblitinib

Roblitinib

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