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    Technical details about MIV-818, learn more about the structure, uses, toxicity, action, side effects and more

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    MIV-818

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    2D Structure
    1. Also known as: Miv818, Miv-818, Unii-q1i6yz0ngf, Q1i6yz0ngf, Troxacitabine nucleotide prodrug miv-818, 1-((2s,4s)-2-((((s)-(4-bromophenoxy)(((s)-1-oxo-1-(((s)-pentan-2-yl)oxy)propan-2-yl)amino)phosphoryl)oxy)methyl)-1,3-dioxolan-4-yl)-2-oxo-1,2-dihydropyrimidin-4-amine
    Molecular Formula
    C22H30BrN4O8P
    Molecular Weight
    589.4  g/mol
    InChI Key
    JBYKMODFCUCTGY-LLSQRQBFSA-N
    FDA UNII
    Q1I6YZ0NGF
    Fostroxacitabine Bralpamide is a liver-targeting nucleotide phosphoramidate prodrug of troxacitabine monophosphate (TRX-MP), a dioxolane derivative and L-configuration deoxycytidine analogue, with potential antineoplastic activity. Upon oral administration, fostroxacitabine bralpamide is rapidly and specifically hydrolyzed in hepatocytes by liver carboxylesterase 1 (carboxylesterase 1, CE-1), generating high levels of the chain-terminating nucleotide, troxacitabine triphosphate (TRX-TP) in the liver. TRX-TP is then incorporated into tumor cell DNA, leading to termination of DNA synthesis and inhibition of tumor cell proliferation.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(2S)-pentan-2-yl] (2S)-2-[[[(2S,4S)-4-(4-amino-2-oxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methoxy-(4-bromophenoxy)phosphoryl]amino]propanoate
    2.1.2 InChI
    InChI=1S/C22H30BrN4O8P/c1-4-5-14(2)33-21(28)15(3)26-36(30,35-17-8-6-16(23)7-9-17)32-13-20-31-12-19(34-20)27-11-10-18(24)25-22(27)29/h6-11,14-15,19-20H,4-5,12-13H2,1-3H3,(H,26,30)(H2,24,25,29)/t14-,15-,19-,20-,36-/m0/s1
    2.1.3 InChI Key
    JBYKMODFCUCTGY-LLSQRQBFSA-N
    2.1.4 Canonical SMILES
    CCCC(C)OC(=O)C(C)NP(=O)(OCC1OCC(O1)N2C=CC(=NC2=O)N)OC3=CC=C(C=C3)Br
    2.1.5 Isomeric SMILES
    CCC[C@H](C)OC(=O)[C@H](C)N[P@](=O)(OC[C@H]1OC[C@H](O1)N2C=CC(=NC2=O)N)OC3=CC=C(C=C3)Br
    2.2 Other Identifiers
    2.2.1 UNII
    Q1I6YZ0NGF
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Miv818

    2. Miv-818

    3. Unii-q1i6yz0ngf

    4. Q1i6yz0ngf

    5. Troxacitabine Nucleotide Prodrug Miv-818

    6. 1-((2s,4s)-2-((((s)-(4-bromophenoxy)(((s)-1-oxo-1-(((s)-pentan-2-yl)oxy)propan-2-yl)amino)phosphoryl)oxy)methyl)-1,3-dioxolan-4-yl)-2-oxo-1,2-dihydropyrimidin-4-amine

    7. 2129993-56-0

    8. L-alanine, N-((((2s,4s)-4-(4-amino-2-oxo-1(2h)-pyrimidinyl)-1,3-dioxolan-2-yl)methoxy)(4-bromophenoxy)phosphinyl)-, (1s)-1-methylbutyl Ester

    9. Chembl4594349

    10. Fostroxacitabine Bralpamide [usan]

    11. Who 11760

    12. Fostroxacitabine Bralpamide [inn]

    13. [(2s)-pentan-2-yl] (2s)-2-[[[(2s,4s)-4-(4-amino-2-oxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methoxy-(4-bromophenoxy)phosphoryl]amino]propanoate

    14. 1884205-97-3

    2.4 Create Date
    2019-12-06
    3 Chemical and Physical Properties
    Molecular Weight 589.4 g/mol
    Molecular Formula C22H30BrN4O8P
    XLogP32.2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count13
    Exact Mass588.09846 g/mol
    Monoisotopic Mass588.09846 g/mol
    Topological Polar Surface Area151 Ų
    Heavy Atom Count36
    Formal Charge0
    Complexity882
    Isotope Atom Count0
    Defined Atom Stereocenter Count5
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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