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    Tuspetinib

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
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    2D Structure
    Also known as: Hm43239, Hm-43239, 2569527-64-4, 2294874-49-8, 2-pyrimidinamine, 5-chloro-n-(3-cyclopropyl-5-(((3r,5s)-3,5-dimethyl-1-piperazinyl)methyl)phenyl)-4-(6-methyl-1h-indol-3-yl)-, rel-, 5-chloro-n-(3-cyclopropyl-5-(((3r,5s)-3,5-dimethylpiperazine-1-yl) methyl) phenyl)-4-(6-methyl-1hindol-3-yl) pyrimidin-2-amine
    Molecular Formula
    C29H33ClN6
    Molecular Weight
    501.1  g/mol
    InChI Key
    FZLSDZZNPXXBBB-KDURUIRLSA-N
    FDA UNII
    C0WUS7XXE9
    FLT3 Inhibitor HM43239 is a selective, reversible type I inhibitor of FMS-like tyrosine kinase 3 (FLT3; CD135; STK1; FLK2) with potential antineoplastic activity. Upon administration of FLT3 inhibitor HM43239, it reversibly binds to and inhibits the activity of FLT3. This inhibits the proliferation of FLT3-expressing cancer cells. FLT3, a class III receptor tyrosine kinase (RTK), is overexpressed or mutated in most B-lineage neoplasms and in acute myeloid leukemias.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-chloro-N-[3-cyclopropyl-5-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]-4-(6-methyl-1H-indol-3-yl)pyrimidin-2-amine
    2.1.2 InChI
    InChI=1S/C29H33ClN6/c1-17-4-7-24-25(12-31-27(24)8-17)28-26(30)13-32-29(35-28)34-23-10-20(9-22(11-23)21-5-6-21)16-36-14-18(2)33-19(3)15-36/h4,7-13,18-19,21,31,33H,5-6,14-16H2,1-3H3,(H,32,34,35)/t18-,19+
    2.1.3 InChI Key
    FZLSDZZNPXXBBB-KDURUIRLSA-N
    2.1.4 Canonical SMILES
    CC1CN(CC(N1)C)CC2=CC(=CC(=C2)NC3=NC=C(C(=N3)C4=CNC5=C4C=CC(=C5)C)Cl)C6CC6
    2.1.5 Isomeric SMILES
    C[C@@H]1CN(C[C@@H](N1)C)CC2=CC(=CC(=C2)NC3=NC=C(C(=N3)C4=CNC5=C4C=CC(=C5)C)Cl)C6CC6
    2.2 Other Identifiers
    2.2.1 UNII
    C0WUS7XXE9
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Hm43239

    2. Hm-43239

    3. 2569527-64-4

    4. 2294874-49-8

    5. 2-pyrimidinamine, 5-chloro-n-(3-cyclopropyl-5-(((3r,5s)-3,5-dimethyl-1-piperazinyl)methyl)phenyl)-4-(6-methyl-1h-indol-3-yl)-, Rel-

    6. 5-chloro-n-(3-cyclopropyl-5-(((3r,5s)-3,5-dimethylpiperazine-1-yl) Methyl) Phenyl)-4-(6-methyl-1hindol-3-yl) Pyrimidin-2-amine

    7. Tuspetinib

    8. 5-chloro-n-(3-cyclopropyl-5-(((3r,5s)-3,5-dimethylpiperazin-1-yl)methyl)phenyl)-4-(6-methyl-1h-indol-3-yl)pyrimidin-2-amine

    9. 5-chloro-n-[3-cyclopropyl-5-[[(3r,5s)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]-4-(6-methyl-1h-indol-3-yl)pyrimidin-2-amine

    10. Unii-c0wus7xxe9

    11. Schembl21629038

    12. Gtpl12010

    13. Us10870639, Example 8

    14. Bdbm476700

    15. Glxc-25333

    16. Ex-a5352

    17. Example 8 [us10870639b2]

    18. Db15343

    19. Hy-145015

    20. Cs-0312139

    21. 5-chloro-n-(3-cyclopropyl-5-(((3r,5s)-3,5-dimethylpiperazine-1-yl)methyl)phenyl)-4-(6-methyl-1h-indole-3-yl)pyrimidine-2-amine

    22. 5-chloro-n-(3-cyclopropyl-5-(((3s,5r)-3,5-dimethylpiperazin-1-yl)methyl)phenyl)-4-(6-methyl-1h-indol-3-yl)pyrimidin-2-amine

    2.4 Create Date
    2018-12-16
    3 Chemical and Physical Properties
    Molecular Weight 501.1 g/mol
    Molecular Formula C29H33ClN6
    XLogP35.8
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count6
    Exact Mass500.2455228 g/mol
    Monoisotopic Mass500.2455228 g/mol
    Topological Polar Surface Area68.9 Ų
    Heavy Atom Count36
    Formal Charge0
    Complexity725
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1