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    API Import of RVU120 obtained from Indian Customs Trade Statistics

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    Chemistry

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    Also known as: 1609452-30-3, Sel120, Sel-120, Se-120-34a, Sdm3m518pj, Sel120-34a (monohydrochloride)
    Molecular Formula
    C15H19Br2ClN4
    Molecular Weight
    450.6  g/mol
    InChI Key
    GQXLWUCQESKBSC-UHFFFAOYSA-N
    FDA UNII
    SDM3M518PJ
    RVU120
    CDK8/19 Inhibitor SEL 120 is an orally bioavailable inhibitor of cyclin-dependent kinases 8 and 19 (CDK8/19), with potential antineoplastic and chemoprotective activities. Upon oral administration, CDK8/19 inhibitor SEL 120 targets, binds to and inhibits the activity of CDK8/19, which prevents activation of CDK8/19-mediated oncogenic signaling pathways, blocks selective transcription of various tumor-promoting genes, and inhibits proliferation of CDK8/19-overexpressing tumor cells. CDK8/19, serine/threonine kinases involved in the regulation of the cell cycle, are overexpressed in certain cancer cell types and play key roles in tumor cell proliferation.
    1 2D Structure

    RVU120

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6,7-dibromo-5-methyl-2-piperazin-1-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydrochloride
    2.1.2 InChI
    InChI=1S/C15H18Br2N4.ClH/c1-9-11(16)12(17)10-3-2-6-21-14(10)13(9)19-15(21)20-7-4-18-5-8-20;/h18H,2-8H2,1H3;1H
    2.1.3 InChI Key
    GQXLWUCQESKBSC-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C2C3=C(CCCN3C(=N2)N4CCNCC4)C(=C1Br)Br.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    SDM3M518PJ
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 1609452-30-3

    2. Sel120

    3. Sel-120

    4. Se-120-34a

    5. Sdm3m518pj

    6. Sel120-34a (monohydrochloride)

    7. 1609452-30-3 (hcl)

    8. 7,8-dibromo-9-methyl-2-piperazin-1-yl-5,6-dihydro-4h-imidazo[4,5,1-ij]quinoline Hydrochloride

    9. 4h-imidazo(4,5,1-ij)quinoline, 7,8-dibromo-5,6-dihydro-9-methyl-2-(1-piperazinyl)-, Hydrochloride (1:1)

    10. 7,8-dibromo-5,6-dihydro-9-methyl-2-(1-piperazinyl)-4himidazo(4,5,1-ij)quinoline Hydrochloride

    11. Unii-sdm3m518pj

    12. Chembl4578881

    13. Schembl17106021

    14. S8840

    15. Akos037648926

    16. Ex-a2929-1

    17. Hy-111388a

    18. 7,8-dibromo-9-methyl-2-(piperazin-1-yl)-5,6-dihydro-4h-imidazo[4,5,1-ij]quinoline Hydrochloride

    19. Bs-16042

    20. Imidazo[4,5,1-ij]quinoline Hydrochloride

    21. Cs-0041061

    22. A17086

    23. D80736

    24. Sel120(sel120-34,sel120-34a)

    25. 7,8-dibromo-9-methyl-2-piperazin-1-yl-5,6-dihydro-4h-

    26. Sel120-34a Monohydrochloride (1609522-33-9 Free Base)

    27. 6,7-dibromo-5-methyl-2-piperazin-1-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydrochloride

    2.4 Create Date
    2014-05-26
    3 Chemical and Physical Properties
    Molecular Weight 450.6 g/mol
    Molecular Formula C15H19Br2ClN4
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass449.96445 g/mol
    Monoisotopic Mass447.96650 g/mol
    Topological Polar Surface Area33.1 Ų
    Heavy Atom Count22
    Formal Charge0
    Complexity390
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2

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