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    Futibatinib

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

    INTERMEDIATES

    FINISHED DOSAGE FORMULATIONS

    DIGITAL CONTENT

    PATENTS & EXCLUSIVITIES

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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