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    Technical details about Fimaporfin, learn more about the structure, uses, toxicity, action, side effects and more

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    Fimaporfin

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    Inke S.A: APIs manufacturing plant.

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    2D Structure
    1. Also known as: 1443547-43-0, 4-[10,15-diphenyl-20-(4-sulfophenyl)-2,3,22,24-tetrahydroporphyrin-5-yl]benzenesulfonic acid;4-[10,15-diphenyl-20-(4-sulfophenyl)-12,13,22,24-tetrahydroporphyrin-5-yl]benzenesulfonic acid;4-[15,20-diphenyl-10-(4-sulfophenyl)-2,3,21,23-tetrahydroporphyrin-5-yl]benzenesulfonic acid, Fimaporfin [inn], Unii-3uvt27c76j, 3uvt27c76j, 4,4'-(15,20-diphenyl-7,8(or 12,13 or 17,18)-dihydro-21h,23h-porphine-5,10-diyl)bisbenzenesulfonic acid, mixture of three isomers a, b and c (25%,50%,25%)
    Molecular Formula
    C132H96N12O18S6
    Molecular Weight
    2330.6  g/mol
    InChI Key
    AINQERPKMNDVQT-UHFFFAOYSA-N
    Fimaporfin is a synthetic light-activated compound composed of three benzenesulfonic acid isomers: fimaporfin A (TPCS2a; tetraphenyl chlorin disulfonate), fimaporfin B, and fimaporfin C, with potential photosensitizing activity upon photodynamic therapy (PDT). Upon intradermal administration, fimaporfin is incorporated into the tumor cells' endosome and lysosome membranes. Subsequently, cytotoxic agents are administered and accumulate in the endosomal and lysosomal compartments; upon local activation by light, fimaporfin produces reactive oxygen species (ROS), such as singlet oxygen, damaging endo/lysosomal membranes and accumulated cytotoxic agents are released into the tumor cell cytosol. This photochemical internalization (PCI) method can enhance the efficacy and selectivity of cytotoxic agents.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-[10,15-diphenyl-20-(4-sulfophenyl)-2,3,22,24-tetrahydroporphyrin-5-yl]benzenesulfonic acid;4-[10,15-diphenyl-20-(4-sulfophenyl)-12,13,22,24-tetrahydroporphyrin-5-yl]benzenesulfonic acid;4-[15,20-diphenyl-10-(4-sulfophenyl)-2,3,21,23-tetrahydroporphyrin-5-yl]benzenesulfonic acid
    2.1.2 InChI
    InChI=1S/3C44H32N4O6S2/c3*49-55(50,51)31-15-11-29(12-16-31)43-37-23-21-35(46-37)41(27-7-3-1-4-8-27)33-19-20-34(45-33)42(28-9-5-2-6-10-28)36-22-24-38(47-36)44(40-26-25-39(43)48-40)30-13-17-32(18-14-30)56(52,53)54/h1-18,21-26,46-47H,19-20H2,(H,49,50,51)(H,52,53,54);1-21,23,25-26,46-47H,22,24H2,(H,49,50,51)(H,52,53,54);1-24,46-47H,25-26H2,(H,49,50,51)(H,52,53,54)
    2.1.3 InChI Key
    AINQERPKMNDVQT-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CC2=C(C3=NC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C1N2)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=C(C=C8)S(=O)(=O)O)C=C3)C9=CC=C(C=C9)S(=O)(=O)O.C1CC2=NC1=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC(=C2C6=CC=CC=C6)N5)C7=CC=C(C=C7)S(=O)(=O)O)C8=CC=C(C=C8)S(=O)(=O)O)C9=CC=CC=C9.C1CC2=NC1=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC(=C2C6=CC=C(C=C6)S(=O)(=O)O)N5)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=C(C=C9)S(=O)(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1443547-43-0

    2. 4-[10,15-diphenyl-20-(4-sulfophenyl)-2,3,22,24-tetrahydroporphyrin-5-yl]benzenesulfonic Acid;4-[10,15-diphenyl-20-(4-sulfophenyl)-12,13,22,24-tetrahydroporphyrin-5-yl]benzenesulfonic Acid;4-[15,20-diphenyl-10-(4-sulfophenyl)-2,3,21,23-tetrahydroporphyrin-5-yl]benzenesulfonic Acid

    3. Fimaporfin [inn]

    4. Unii-3uvt27c76j

    5. 3uvt27c76j

    6. 4,4'-(15,20-diphenyl-7,8(or 12,13 Or 17,18)-dihydro-21h,23h-porphine-5,10-diyl)bisbenzenesulfonic Acid, Mixture Of Three Isomers A, B And C (25%,50%,25%)

    2.3 Create Date
    2019-01-15
    3 Chemical and Physical Properties
    Molecular Weight 2330.6 g/mol
    Molecular Formula C132H96N12O18S6
    Hydrogen Bond Donor Count12
    Hydrogen Bond Acceptor Count24
    Rotatable Bond Count18
    Exact Mass2329.5323361 g/mol
    Monoisotopic Mass2328.5289813 g/mol
    Topological Polar Surface Area549 Ų
    Heavy Atom Count168
    Formal Charge0
    Complexity4360
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3
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