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    Chemistry

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    Also known as: Tp-3654, 1361951-15-6, Tp3654, Sgi-9481, Eob0n7boy4, 2-(4-((3-(3-(trifluoromethyl)phenyl)imidazo(1,2-b)pyridazin-6-yl)amino)cyclohexyl)propan-2-ol
    Molecular Formula
    C22H25F3N4O
    Molecular Weight
    418.5  g/mol
    InChI Key
    XRNVABDYQLHODA-UHFFFAOYSA-N
    FDA UNII
    EOB0N7BOY4
    TP-3654
    PIM Kinase Inhibitor TP-3654 is an orally available, second-generation and selective ATP-competitive inhibitor of proviral integration site for Moloney murine leukemia virus (PIM) kinases, with potential antineoplastic activity. Upon oral administration, PIM kinase inhibitor TP-3654 selectively binds to and prevents the activation of the PIM kinases. This prevents the activation of PIM-mediated signaling pathways and inhibits proliferation in cells that overexpress PIM. PIMs, constitutively active proto-oncogenic serine/threonine kinases, are upregulated in various types of cancers and play key roles in tumor cell proliferation and survival.
    1 2D Structure

    TP-3654

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol
    2.1.2 InChI
    InChI=1S/C22H25F3N4O/c1-21(2,30)15-6-8-17(9-7-15)27-19-10-11-20-26-13-18(29(20)28-19)14-4-3-5-16(12-14)22(23,24)25/h3-5,10-13,15,17,30H,6-9H2,1-2H3,(H,27,28)
    2.1.3 InChI Key
    XRNVABDYQLHODA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)(C1CCC(CC1)NC2=NN3C(=NC=C3C4=CC(=CC=C4)C(F)(F)F)C=C2)O
    2.2 Other Identifiers
    2.2.1 UNII
    EOB0N7BOY4
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Tp 3654

    2. Tp3654

    3. Vasoactive Intestinal Peptide-aba-gly-gly-ala-gly

    4. Vip-aba-gly-gly-(d)-ala-gly

    5. Vip-aminobutyric Acid-glycyl-glycyl-(d)-alanyl-glycine

    2.3.2 Depositor-Supplied Synonyms

    1. Tp-3654

    2. 1361951-15-6

    3. Tp3654

    4. Sgi-9481

    5. Eob0n7boy4

    6. 2-(4-((3-(3-(trifluoromethyl)phenyl)imidazo(1,2-b)pyridazin-6-yl)amino)cyclohexyl)propan-2-ol

    7. 4-((3-(3-(trifluoromethyl)phenyl)imidazo(1,2-b)pyridazin-6-yl)amino) -trans-cyclohexyl)propan-2-ol

    8. 2-[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol

    9. Unii-eob0n7boy4

    10. Schembl102560

    11. Chembl3975308

    12. Schembl19986953

    13. Schembl20794171

    14. Schembl22421478

    15. Bdbm242374

    16. Bcp30070

    17. Ex-a1828

    18. Nsc805149

    19. Akos032960444

    20. Cs-6293

    21. Nsc-805149

    22. Sb17245

    23. Tp 3654

    24. Ncgc00511354-02

    25. Tp3654; Tp 3654

    26. Ac-36196

    27. Bs-15262

    28. Hy-101126

    29. S6774

    30. C72454

    31. A857573

    32. Us9416132, 8-31

    2.4 Create Date
    2012-11-30
    3 Chemical and Physical Properties
    Molecular Weight 418.5 g/mol
    Molecular Formula C22H25F3N4O
    XLogP34.6
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count4
    Exact Mass418.19804592 g/mol
    Monoisotopic Mass418.19804592 g/mol
    Topological Polar Surface Area62.4 Ų
    Heavy Atom Count30
    Formal Charge0
    Complexity579
    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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