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2D Structure
Also known as: Tas-120, 1448169-71-8, Fgfr-in-1, Tas120, Futibatinib [usan], 4b93mge4al
Molecular Formula
C22H22N6O3
Molecular Weight
418.4  g/mol
InChI Key
KEIPNCCJPRMIAX-HNNXBMFYSA-N
FDA UNII
4B93MGE4AL

Futibatinib is an orally bioavailable inhibitor of the fibroblast growth factor receptor (FGFR) with potential antineoplastic activity. Futibatinib selectively and irreversibly binds to and inhibits FGFR, which may result in the inhibition of both the FGFR-mediated signal transduction pathway and tumor cell proliferation, and increased cell death in FGFR-overexpressing tumor cells. FGFR is a receptor tyrosine kinase essential to tumor cell proliferation, differentiation and survival and its expression is upregulated in many tumor cell types.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-[(3S)-3-[4-amino-3-[2-(3,5-dimethoxyphenyl)ethynyl]pyrazolo[3,4-d]pyrimidin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one
2.1.2 InChI
InChI=1S/C22H22N6O3/c1-4-19(29)27-8-7-15(12-27)28-22-20(21(23)24-13-25-22)18(26-28)6-5-14-9-16(30-2)11-17(10-14)31-3/h4,9-11,13,15H,1,7-8,12H2,2-3H3,(H2,23,24,25)/t15-/m0/s1
2.1.3 InChI Key
KEIPNCCJPRMIAX-HNNXBMFYSA-N
2.1.4 Canonical SMILES
COC1=CC(=CC(=C1)C#CC2=NN(C3=NC=NC(=C23)N)C4CCN(C4)C(=O)C=C)OC
2.1.5 Isomeric SMILES
COC1=CC(=CC(=C1)C#CC2=NN(C3=NC=NC(=C23)N)[C@H]4CCN(C4)C(=O)C=C)OC
2.2 Other Identifiers
2.2.1 UNII
4B93MGE4AL
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 1-((3s)-(4-amino-3-((3,5-dimethoxyphenyl)ethynyl)-1h-pyrazolo(3, 4-d) Pyrimidin-1-yl)-1-pyrrolidinyl)-2-propen-1-one

2. Tas-120

2.3.2 Depositor-Supplied Synonyms

1. Tas-120

2. 1448169-71-8

3. Fgfr-in-1

4. Tas120

5. Futibatinib [usan]

6. 4b93mge4al

7. Tas 120

8. (s)-1-(3-(4-amino-3-((3,5-dimethoxyphenyl)ethynyl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl)pyrrolidin-1-yl)prop-2-en-1-one

9. 1-[(3s)-3-[4-amino-3-[2-(3,5-dimethoxyphenyl)ethynyl]-1h-pyrazolo[3,4-d]pyrimidin-1-yl]-1-pyrrolidinyl]-2-propen-1-one

10. 1-[(3s)-3-[4-amino-3-[2-(3,5-dimethoxyphenyl)ethynyl]pyrazolo[3,4-d]pyrimidin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one

11. 1-[(3s)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1h-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one

12. 2-propen-1-one, 1-((3s)-3-(4-amino-3-(2-(3,5-dimethoxyphenyl)ethynyl)-1h-pyrazolo(3,4-d)pyrimidin-1-yl)-1-pyrrolidinyl)-

13. Unii-4b93mge4al

14. Lytgobi

15. Futibatinib [inn]

16. Futibatinib [jan]

17. Futibatinib [who-dd]

18. Futibatinib (jan/usan/inn)

19. Gtpl9786

20. Chembl3701238

21. Schembl15345470

22. Tas 120 [who-dd]

23. Bdbm161389

24. Amy16930

25. Bcp17213

26. Ex-a1862

27. Nsc813488

28. Who 10879

29. Zinc207800318

30. Cs-6031

31. Db15149

32. Example 2 [wo2013108809]

33. Nsc-813488

34. Ac-35460

35. Bs-15425

36. Hy-100818

37. D11725

38. D77976

39. Us9108973, 2

40. 1814961-20-0

2.4 Create Date
2013-08-05
3 Chemical and Physical Properties
Molecular Weight 418.4 g/mol
Molecular Formula C22H22N6O3
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass418.17533859 g/mol
Monoisotopic Mass418.17533859 g/mol
Topological Polar Surface Area108 Ų
Heavy Atom Count31
Formal Charge0
Complexity723
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Drug and Medication Information
4.1 Drug Indication

Treatment of cholangiocarcinoma


5 Pharmacology and Biochemistry
5.1 MeSH Pharmacological Classification

Antineoplastic Agents

Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)


5.2 ATC Code

L - Antineoplastic and immunomodulating agents

L01 - Antineoplastic agents

L01E - Protein kinase inhibitors

L01EN - Fibroblast growth factor receptor (fgfr) tyrosine kinase inhibitors

L01EN04 - Futibatinib