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    TP-271

    DEVELOPMENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 1207284-17-0, Y6ium7395q, (2s)-n-[(5ar,6as,7s,10ar)-9-carbamoyl-7-(dimethylamino)-4-fluoro-1,10,10a,12-tetrahydroxy-8,11-dioxo-5a,6,6a,7-tetrahydro-5h-tetracen-2-yl]-1-methylpyrrolidine-2-carboxamide, (s)-n-((5ar,6as,7s,10as)-9-carbamoyl-7-(dimethylamino)-4-fluoro-1,8,10a,11-tetrahydroxy-10,12-dioxo-5,5a,6,6a,7,10,10a,12-octahydrotetracen-2-yl)-1-methylpyrrolidine-2-carboxamide, Unii-y6ium7395q, (2s)-n-((5ar,6as,7s,10ar)-9-carbamoyl-7-(dimethylamino)-4-fluoro-1,10,10a,12-tetrahydroxy-8,11-dioxo-5a,6,6a,7-tetrahydro-5h-tetracen-2-yl)-1-methylpyrrolidine-2-carboxamide
    Molecular Formula
    C27H31FN4O8
    Molecular Weight
    558.6  g/mol
    InChI Key
    VIWUYPVRNWIKLS-HMFHYXQTSA-N
    FDA UNII
    Y6IUM7395Q
    TP-271 is under investigation in clinical trial NCT02724085 (A Phase 1 Study to Assess the Safety, Tolerability and PK of IV TP-271).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-N-[(5aR,6aS,7S,10aR)-9-carbamoyl-7-(dimethylamino)-4-fluoro-1,10,10a,12-tetrahydroxy-8,11-dioxo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]-1-methylpyrrolidine-2-carboxamide
    2.1.2 InChI
    InChI=1S/C27H31FN4O8/c1-31(2)19-12-8-10-7-11-13(28)9-14(30-26(39)15-5-4-6-32(15)3)20(33)17(11)21(34)16(10)23(36)27(12,40)24(37)18(22(19)35)25(29)38/h9-10,12,15,19,33-34,37,40H,4-8H2,1-3H3,(H2,29,38)(H,30,39)/t10-,12-,15-,19-,27-/m0/s1
    2.1.3 InChI Key
    VIWUYPVRNWIKLS-HMFHYXQTSA-N
    2.1.4 Canonical SMILES
    CN1CCCC1C(=O)NC2=CC(=C3CC4CC5C(C(=O)C(=C(C5(C(=O)C4=C(C3=C2O)O)O)O)C(=O)N)N(C)C)F
    2.1.5 Isomeric SMILES
    CN1CCC[C@H]1C(=O)NC2=CC(=C3C[C@H]4C[C@H]5[C@@H](C(=O)C(=C([C@]5(C(=O)C4=C(C3=C2O)O)O)O)C(=O)N)N(C)C)F
    2.2 Other Identifiers
    2.2.1 UNII
    Y6IUM7395Q
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. (2s)-n-((5ar,6as,7s,10ar)-9-carbamoyl-7-(dimethylamino)-4-fluoro-1,10,10a,12-tetrahydroxy-8,11-dioxo-5a,6,6a,7-tetrahydro-5h-tetracen-2-yl)-1-methylpyrrolidine-2-carboxamide

    2.3.2 Depositor-Supplied Synonyms

    1. 1207284-17-0

    2. Y6ium7395q

    3. (2s)-n-[(5ar,6as,7s,10ar)-9-carbamoyl-7-(dimethylamino)-4-fluoro-1,10,10a,12-tetrahydroxy-8,11-dioxo-5a,6,6a,7-tetrahydro-5h-tetracen-2-yl]-1-methylpyrrolidine-2-carboxamide

    4. (s)-n-((5ar,6as,7s,10as)-9-carbamoyl-7-(dimethylamino)-4-fluoro-1,8,10a,11-tetrahydroxy-10,12-dioxo-5,5a,6,6a,7,10,10a,12-octahydrotetracen-2-yl)-1-methylpyrrolidine-2-carboxamide

    5. Unii-y6ium7395q

    6. (2s)-n-((5ar,6as,7s,10ar)-9-carbamoyl-7-(dimethylamino)-4-fluoro-1,10,10a,12-tetrahydroxy-8,11-dioxo-5a,6,6a,7-tetrahydro-5h-tetracen-2-yl)-1-methylpyrrolidine-2-carboxamide

    7. Chembl2057236

    8. Schembl13397803

    9. Gtpl11013

    10. Tp271

    11. Db15040

    2.4 Create Date
    2011-12-26
    3 Chemical and Physical Properties
    Molecular Weight 558.6 g/mol
    Molecular Formula C27H31FN4O8
    XLogP31.1
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count4
    Exact Mass558.21259212 g/mol
    Monoisotopic Mass558.21259212 g/mol
    Topological Polar Surface Area194 Ų
    Heavy Atom Count40
    Formal Charge0
    Complexity1220
    Isotope Atom Count0
    Defined Atom Stereocenter Count5
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1