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    Mivavotinib

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
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    2D Structure
    Also known as: Tak-659, 1312691-33-0, Tak-659 free base, Mivavotinib [usan], Tak-659f, Tak659
    Molecular Formula
    C17H21FN6O
    Molecular Weight
    344.4  g/mol
    InChI Key
    MJHOMTRKVMKCNE-NWDGAFQWSA-N
    FDA UNII
    8QR88H79VX
    Mivavotinib is an inhibitor of spleen tyrosine kinase (syk), with potential anti-inflammatory, immunomodulating, and antineoplastic activities. Upon administration, mivavotinib may inhibit the activity of syk, which abrogates downstream B-cell receptor (BCR) signaling and leads to an inhibition of B-cell activation, chemotaxis, adhesion and proliferation. Syk, a BCR-associated non-receptor tyrosine kinase that mediates diverse cellular responses, including proliferation, differentiation, and phagocytosis, is expressed in hematopoietic tissues and is often overexpressed in hematopoietic malignancies.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
    2.1.2 InChI
    InChI=1S/C17H21FN6O/c1-24-8-9(6-21-24)15-13-10(7-20-17(13)25)14(18)16(23-15)22-12-5-3-2-4-11(12)19/h6,8,11-12H,2-5,7,19H2,1H3,(H,20,25)(H,22,23)/t11-,12+/m0/s1
    2.1.3 InChI Key
    MJHOMTRKVMKCNE-NWDGAFQWSA-N
    2.1.4 Canonical SMILES
    CN1C=C(C=N1)C2=NC(=C(C3=C2C(=O)NC3)F)NC4CCCCC4N
    2.1.5 Isomeric SMILES
    CN1C=C(C=N1)C2=NC(=C(C3=C2C(=O)NC3)F)N[C@@H]4CCCC[C@@H]4N
    2.2 Other Identifiers
    2.2.1 UNII
    8QR88H79VX
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Tak-659

    2.3.2 Depositor-Supplied Synonyms

    1. Tak-659

    2. 1312691-33-0

    3. Tak-659 Free Base

    4. Mivavotinib [usan]

    5. Tak-659f

    6. Tak659

    7. 8qr88h79vx

    8. Chembl3979920

    9. 6-[[(1r,2s)-2-aminocyclohexyl]amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one

    10. 3h-pyrrolo(3,4-c)pyridin-3-one, 6-(((1r,2s)-2-aminocyclohexyl)amino)-7-fluoro-1,2-dihydro-4-(1-methyl-1h-pyrazol-4-yl)-

    11. 3h-pyrrolo[3,4-c]pyridin-3-one, 6-[[(1r,2s)-2-aminocyclohexyl]amino]-7-fluoro-1,2-dihydro-4-(1-methyl-1h-pyrazol-4-yl)-

    12. 6-(((1r,2s)-2-aminocyclohexyl)amino)-7-fluoro-4-(1-methyl-1h-pyrazol-4-yl)-1,2-dihydro-3h-pyrrolo[3,4-c]pyridin-3-one

    13. 6-((1r,2s)-2-aminocyclohexylamino)-7-fluoro-4-(1-methyl-1h-pyrazol-4-yl)-1h-pyrrolo(3,4-c)pyridin-3(2h)-one

    14. 6-((1r,2s)-2-aminocyclohexylamino)-7-fluoro-4-(1-methyl-1h-pyrazol-4-yl)-1h-pyrrolo[3,4-c]pyridin-3(2h)-one

    15. 6-{[(1r,2s)-2-aminocyclohexyl]amino}-7-fluoro-4-(1-methyl-1h-pyrazol-4-yl)-1,2-dihydro-3h-pyrrolo[3,4-c]pyridin-3-one

    16. Mivavotinib [inn]

    17. Mivavotinib (usan/inn)

    18. Tak659 2hcl

    19. Unii-8qr88h79vx

    20. Mivavotinib [who-dd]

    21. Tak-659 2hcl

    22. Gtpl9600

    23. Schembl1987799

    24. Tak-659 Free Base(mivavotinib)

    25. Bcp28883

    26. Ex-a1401

    27. Bdbm50204290

    28. Cb-659

    29. Nsc791967

    30. Nsc791968

    31. Who 10836

    32. Nsc-791967

    33. Nsc-791968

    34. Compound 3b [pmid: 27839918]

    35. Ac-35463

    36. Hy-100867

    37. Cs-0020533

    38. D11789

    39. 1312691-41-0

    40. Cis-6-(2-aminocyclohexylamino)-7-fluoro-4-(1-methyl-1h-pyrazol-4-yl)-1h-pyrrolo[3,4-c]pyridin-3(2h)-one

    2.4 Create Date
    2011-07-25
    3 Chemical and Physical Properties
    Molecular Weight 344.4 g/mol
    Molecular Formula C17H21FN6O
    XLogP30.5
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count3
    Exact Mass344.17608748 g/mol
    Monoisotopic Mass344.17608748 g/mol
    Topological Polar Surface Area97.9 Ų
    Heavy Atom Count25
    Formal Charge0
    Complexity508
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1