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    Senaparib

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    2D Structure
    Also known as: Imp-4297, Senaparib [inn], 1401682-78-7, Imp4297, Mnz4op95cf, 5-fluoro-1-[[4-fluoro-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]quinazoline-2,4-dione
    Molecular Formula
    C24H20F2N6O3
    Molecular Weight
    478.5  g/mol
    InChI Key
    VBTUJTGLLREMNW-UHFFFAOYSA-N
    FDA UNII
    MNZ4OP95CF
    Senaparib is an orally bioavailable inhibitor of the nuclear enzymes poly (ADP-ribose) polymerase (PARP) 1 and 2, with potential antineoplastic activity. Upon administration, senaparib selectively binds to PARP 1 and 2 and prevents PARP-mediated DNA repair of single-strand DNA breaks via the base-excision repair pathway. This enhances the accumulation of DNA strand breaks and promotes genomic instability and eventually leads to apoptosis. PARP catalyzes post-translational ADP-ribosylation of nuclear proteins that signal and recruit other proteins to repair damaged DNA and is activated by single-strand DNA breaks.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-fluoro-1-[[4-fluoro-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]quinazoline-2,4-dione
    2.1.2 InChI
    InChI=1S/C24H20F2N6O3/c25-17-6-5-15(14-32-19-4-1-3-18(26)20(19)21(33)29-24(32)35)13-16(17)22(34)30-9-11-31(12-10-30)23-27-7-2-8-28-23/h1-8,13H,9-12,14H2,(H,29,33,35)
    2.1.3 InChI Key
    VBTUJTGLLREMNW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CN(CCN1C2=NC=CC=N2)C(=O)C3=C(C=CC(=C3)CN4C5=C(C(=CC=C5)F)C(=O)NC4=O)F
    2.2 Other Identifiers
    2.2.1 UNII
    MNZ4OP95CF
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Imp-4297

    2. Senaparib [inn]

    3. 1401682-78-7

    4. Imp4297

    5. Mnz4op95cf

    6. 5-fluoro-1-[[4-fluoro-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]quinazoline-2,4-dione

    7. 2,4(1h,3h)-quinazolinedione, 5-fluoro-1-((4-fluoro-3-((4-(2-pyrimidinyl)-1-piperazinyl)carbonyl)phenyl)methyl)-

    8. 5-fluoro-1-((4-fluoro-3-((4-(2-pyrimidinyl)-1-piperazinyl)carbonyl)phenyl)methyl)-2,4(1h,3h)-quinazolinedione

    9. Unii-mnz4op95cf

    10. Senaparib [who-dd]

    11. Chembl4802152

    12. Schembl12822522

    13. Gtpl11199

    14. Hy-137450

    15. Cs-0138656

    2.4 Create Date
    2012-11-30
    3 Chemical and Physical Properties
    Molecular Weight 478.5 g/mol
    Molecular Formula C24H20F2N6O3
    XLogP32
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count4
    Exact Mass478.15649485 g/mol
    Monoisotopic Mass478.15649485 g/mol
    Topological Polar Surface Area98.7 Ų
    Heavy Atom Count35
    Formal Charge0
    Complexity804
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1