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Chemistry

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Also known as: 1234356-69-4, Arq-087, Arq087, Derazantinib [usan], Arq 087, N9b0h171mj

Molecular Formula

C₂₉H₂₉FN₄O

Molecular Weight

468.6 g/mol

InChI Key

KPJDVVCDVBFRMU-AREMUKBSSA-N

FDA UNII

N9B0H171MJ

Derazantinib is an orally bioavailable inhibitor of the fibroblast growth factor receptor (FGFR) with potential antineoplastic activity. Derazantinib binds to and potently inhibits the activity of FGFR subtypes 1, 2 and 3. This may result in the inhibition of FGFR-mediated signal transduction pathways, tumor cell proliferation, tumor angiogenesis and tumor cell death in FGFR-overexpressing tumor cells. FGFR, a receptor tyrosine kinase, is upregulated in many tumor cell types and plays a key role in tumor cellular proliferation, differentiation, angiogenesis and survival.

1 2D Structure

Derazantinib

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(6R)-6-(2-fluorophenyl)-N-[3-[2-(2-methoxyethylamino)ethyl]phenyl]-5,6-dihydrobenzo[h]quinazolin-2-amine

2.1.2 InChI

InChI=1S/C29H29FN4O/c1-35-16-15-31-14-13-20-7-6-8-22(17-20)33-29-32-19-21-18-26(24-10-4-5-12-27(24)30)23-9-2-3-11-25(23)28(21)34-29/h2-12,17,19,26,31H,13-16,18H2,1H3,(H,32,33,34)/t26-/m1/s1

2.1.3 InChI Key

KPJDVVCDVBFRMU-AREMUKBSSA-N

2.1.4 Canonical SMILES

COCCNCCC1=CC(=CC=C1)NC2=NC=C3CC(C4=CC=CC=C4C3=N2)C5=CC=CC=C5F

2.1.5 Isomeric SMILES

COCCNCCC1=CC(=CC=C1)NC2=NC=C3C[C@H](C4=CC=CC=C4C3=N2)C5=CC=CC=C5F

2.2 Other Identifiers

2.2.1 UNII

N9B0H171MJ

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 6-(2-fluorophenyl)-n-(3-(2-((2-methoxyethyl)amino)ethyl)phenyl)-5,6-dihydrobenzo(h)quinazolin-2-amine

2. Arq 087

2.3.2 Depositor-Supplied Synonyms

1. 1234356-69-4

2. Arq-087

3. Arq087

4. Derazantinib [usan]

5. Arq 087

6. N9b0h171mj

7. (6r)-6-(2-fluorophenyl)-n-(3-{2-[(2-methoxyethyl)amino]ethyl}phenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine

8. Benzo(h)quinazolin-2-amine, 6-(2-fluorophenyl)-5,6-dihydro-n-(3-(2-((2-methoxyethyl)amino)ethyl)phenyl)-, (6r)-

9. Benzo[h]quinazolin-2-amine, 6-(2-fluorophenyl)-5,6-dihydro-n-[3-[2-[(2-methoxyethyl)amino]ethyl]phenyl]-, (6r)-

10. Derazantinib(arq-087)

11. Derazantinib [inn]

12. Derazantinib (arq 087)

13. Unii-n9b0h171mj

14. Derazantinib [who-dd]

15. Gtpl9785

16. Chembl4297187

17. Schembl13273847

18. Arq-087arq-087

19. Amy16754

20. Bcp29103

21. Ex-a1717

22. S8609

23. Who 10488

24. Akos037648596

25. Cs-7922

26. Db14889

27. Ac-30343

28. Bs-14785

29. Hy-19981

30. A16825

31. C71924

32. (6r)-6-(2-fluorophenyl)-5,6-dihydro-n-[3-[2-[(2-methoxyethyl)amino]ethyl]phenyl]-benzo[h]quinazolin-2-amine

33. (r)-6-(2-fluorophenyl)-n-(3-(2-((2-methoxyethyl)amino)ethyl)phenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine

34. 1814961-15-3

2.4 Create Date

2010-08-02

3 Chemical and Physical Properties

Molecular Formula	C₂₉H₂₉FN₄O
Molecular Weight	468.6 g/mol
XLogP3	5.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Exact Mass	468.23253972 g/mol
Monoisotopic Mass	468.23253972 g/mol
Topological Polar Surface Area	59.1 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	638
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1