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    Canlitinib

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    2D Structure
    Also known as: 2222730-78-9, Kanitinib, Canlitinib [inn], Pfr26a3awm, Orb2278797, Chembl5314510
    Molecular Formula
    C33H31F2N3O7
    Molecular Weight
    619.6  g/mol
    InChI Key
    PCKYITPVOLEZKL-UHFFFAOYSA-N
    FDA UNII
    PFR26A3AWM
    Kanitinib is a tyrosine kinase inhibitor targeting the oncoprotein c-Met (hepatocyte growth factor receptor; HGFR; MET) and vascular endothelial growth factor receptor 2 (VEGFR2), with potential anti-angiogenic and antineoplastic activities. Upon oral administration, kanitinib targets and binds to c-Met and VEGFR2, thereby disrupting c-Met- and VEGFR2-dependent signal transduction pathways. This may induce cell death in tumor cells overexpressing c-Met and/or VEGFR2 protein. c-Met and VEGFR2 are both overexpressed in many tumor cell types and play key roles in tumor cell proliferation, survival, invasion, metastasis, and tumor angiogenesis.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-[4-[2-fluoro-4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-6-methoxyquinolin-7-yl]oxyhexanoic acid
    2.1.2 InChI
    InChI=1S/C33H31F2N3O7/c1-43-28-18-23-25(19-29(28)44-16-4-2-3-5-30(39)40)36-15-12-26(23)45-27-11-10-22(17-24(27)35)38-32(42)33(13-14-33)31(41)37-21-8-6-20(34)7-9-21/h6-12,15,17-19H,2-5,13-14,16H2,1H3,(H,37,41)(H,38,42)(H,39,40)
    2.1.3 InChI Key
    PCKYITPVOLEZKL-UHFFFAOYSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    PFR26A3AWM
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 2222730-78-9

    2. Kanitinib

    3. Canlitinib [inn]

    4. Pfr26a3awm

    5. Orb2278797

    6. Chembl5314510

    7. Schembl21273458

    8. Schembl29429223

    9. Gtpl12865

    10. Cx1003

    11. Cx-1003

    12. Da-62026

    13. Hy-156603

    14. Cs-0885946

    15. 6-[[4-[2-fluoro-4-[[[1-[[(4-fluorophenyl)amino]carbonyl]cyclopropyl]carbonyl]amino]phenoxy]-6-methoxy-7-quinolinyl]oxy]hexanoic Acid

    16. 6-[4-[2-fluoro-4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-6-methoxyquinolin-7-yl]oxyhexanoic Acid

    17. Hexanoic Acid, 6-[[4-[2-fluoro-4-[[[1-[[(4-fluorophenyl)amino]carbonyl]cyclopropyl]carbonyl]amino]phenoxy]-6-methoxy-7-quinolinyl]oxy]-

    2.4 Create Date
    2019-11-02
    3 Chemical and Physical Properties
    Molecular Weight 619.6 g/mol
    Molecular Formula C33H31F2N3O7
    XLogP36.1
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count14
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area136
    Heavy Atom Count45
    Formal Charge0
    Complexity1010
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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