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    Surufatinib

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    2D Structure
    Also known as: 1308672-74-3, Surufatinib, N-(2-(dimethylamino)ethyl)-1-(3-((4-((2-methyl-1h-indol-5-yl)oxy)pyrimidin-2-yl)amino)phenyl)methanesulfonamide, Hmpl-012, Kdr-in-1, 1816307-67-1
    Molecular Formula
    C24H28N6O3S
    Molecular Weight
    480.6  g/mol
    InChI Key
    TTZSNFLLYPYKIL-UHFFFAOYSA-N
    FDA UNII
    B2K5L1L8S9
    Sulfatinib is an orally bioavailable, small molecule inhibitor of vascular endothelial growth factor receptors (VEGFR) 1, 2, and 3, and the fibroblast growth factor receptor type 1 (FGFR1), with potential antineoplastic and anti-angiogenic activities. Upon oral administration, sulfatinib binds to and inhibits VEGFRs and FGFR1 thereby inhibiting VEGFR- and FGFR1-mediated signal transduction pathways. This leads to a reduction of angiogenesis and tumor cell proliferation in VEGFR/FGFR1-overexpressing tumor cells. Expression of VEGFRs and FGFR1 may be upregulated in a variety of tumor cell types.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[2-(dimethylamino)ethyl]-1-[3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide
    2.1.2 InChI
    InChI=1S/C24H28N6O3S/c1-17-13-19-15-21(7-8-22(19)27-17)33-23-9-10-25-24(29-23)28-20-6-4-5-18(14-20)16-34(31,32)26-11-12-30(2)3/h4-10,13-15,26-27H,11-12,16H2,1-3H3,(H,25,28,29)
    2.1.3 InChI Key
    TTZSNFLLYPYKIL-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CC2=C(N1)C=CC(=C2)OC3=NC(=NC=C3)NC4=CC=CC(=C4)CS(=O)(=O)NCCN(C)C
    2.2 Other Identifiers
    2.2.1 UNII
    B2K5L1L8S9
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. N-(2-(dimethylamino)ethyl)-1-(3-((4-((2-methyl-1h-indol-5-yl)oxy)pyrimidin-2-yl)amino)phenyl)methanesulfonamide

    2. Surufatinib

    2.3.2 Depositor-Supplied Synonyms

    1. 1308672-74-3

    2. Surufatinib

    3. N-(2-(dimethylamino)ethyl)-1-(3-((4-((2-methyl-1h-indol-5-yl)oxy)pyrimidin-2-yl)amino)phenyl)methanesulfonamide

    4. Hmpl-012

    5. Kdr-in-1

    6. 1816307-67-1

    7. Hmpl012

    8. Surufatinib [inn]

    9. Surufatinib [usan]

    10. B2k5l1l8s9

    11. N-[2-(dimethylamino)ethyl]-1-[3-[[4-[(2-methyl-1h-indol-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide

    12. Benzenemethanesulfonamide, N-(2-(dimethylamino)ethyl)-3-((4-((2-methyl-1h-indol-5-yl)oxy)-2-pyrimidinyl)amino)-

    13. Benzenemethanesulfonamide, N-[2-(dimethylamino)ethyl]-3-[[4-[(2-methyl-1h-indol-5-yl)oxy]-2-pyrimidinyl]amino]-

    14. Sulanda

    15. N-[2-(dimethylamino)ethyl]-1-[3-({4-[(2-methyl-1h-indol-5-yl)oxy]pyrimidin-2-yl}amino)phenyl]methanesulfonamide

    16. Sulfatinib [who-dd]

    17. Sulfatinib; Hmpl-012

    18. Unii-b2k5l1l8s9

    19. Surufatinib [who-dd]

    20. Gtpl9769

    21. Schembl1822601

    22. Chembl4297190

    23. Bcp14757

    24. Ex-a2524

    25. Nsc797937

    26. Who 10349

    27. Akos030632837

    28. Zinc117218067

    29. Cs-5949

    30. Db15106

    31. Nsc-797937

    32. Ac-35852

    33. As-74954

    34. Hmpl-012;hmpl 012;hmpl012

    35. Hy-12297

    36. Vegfr2 Inhibitor [wo2011060746]

    37. D71057

    38. A926546

    39. N-(2-(dimethylamino) Ethyl)-1-(3-((4-((2-methyl-1h-indol-5-yl)oxy)pyrimidin-2-yl)amino)phenyl)methanesulfonamide

    40. N-(2-(dimethylamino) Ethyl)-1-(3-((4-(2-methyl-1h-indol-5-yloxy) Pyrimidin-2-yl) Amino) Phenyl) Methanesulfonamide

    2.4 Create Date
    2011-06-06
    3 Chemical and Physical Properties
    Molecular Weight 480.6 g/mol
    Molecular Formula C24H28N6O3S
    XLogP33.4
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count10
    Exact Mass480.19435995 g/mol
    Monoisotopic Mass480.19435995 g/mol
    Topological Polar Surface Area121 Ų
    Heavy Atom Count34
    Formal Charge0
    Complexity733
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    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 all conditions included in the category of malignant neoplasms (except central nervous system tumours, haematopoietic and lymphoid tissue neoplasms), Treatment of malignant neoplasms of haematopoietic and lymphoid tissue