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    TLD-1433

    DEVELOPMENTS

    PharmaCompass
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    2D Structure
    Also known as: L59d69szn5, Rac-(ru(dmb)2(ip-3t))cl2, Tld1433, Tld-1433, 1471479-22-7, Unii-l59d69szn5
    Molecular Formula
    C49H38Cl2N8RuS3
    Molecular Weight
    1007.1  g/mol
    InChI Key
    AVOZSOCUVHJHTQ-UHFFFAOYSA-L
    FDA UNII
    L59D69SZN5
    Photodynamic Compound TLD-1433 is a non-toxic ruthenium-based coordination-complex and photosensitizer, with potential antineoplastic activity upon photodynamic therapy (PDT). Upon intravesical administration, light-activated photodynamic compound (PDC) TLD-1433 targets and binds to transferrin (Tf) and is subsequently taken up by Tf receptors which are located on tumor cells. Upon exposure to green light (525nm), TLD-1433 becomes activated locally and induces the generation of reactive oxygen species (ROS) and singlet oxygen. The release of free radicals may induce apoptosis and destroy the tumor cells. Cancer cells have many more Tf receptors than normal cells,
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-methyl-2-(4-methylpyridin-2-yl)pyridine;ruthenium(2+);2-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-1H-imidazo[4,5-f][1,10]phenanthroline;dichloride
    2.1.2 InChI
    InChI=1S/C25H14N4S3.2C12H12N2.2ClH.Ru/c1-4-14-21(26-11-1)22-15(5-2-12-27-22)24-23(14)28-25(29-24)20-10-9-19(32-20)18-8-7-17(31-18)16-6-3-13-30-16;2*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;;;/h1-13H,(H,28,29);2*3-8H,1-2H3;2*1H;/q;;;;;+2/p-2
    2.1.3 InChI Key
    AVOZSOCUVHJHTQ-UHFFFAOYSA-L
    2.1.4 Canonical SMILES
    CC1=CC(=NC=C1)C2=NC=CC(=C2)C.CC1=CC(=NC=C1)C2=NC=CC(=C2)C.C1=CC2=C3C(=C4C=CC=NC4=C2N=C1)N=C(N3)C5=CC=C(S5)C6=CC=C(S6)C7=CC=CS7.[Cl-].[Cl-].[Ru+2]
    2.2 Other Identifiers
    2.2.1 UNII
    L59D69SZN5
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. L59d69szn5

    2. Rac-(ru(dmb)2(ip-3t))cl2

    3. Tld1433

    4. Tld-1433

    5. 1471479-22-7

    6. Unii-l59d69szn5

    7. Ruthenium(2+), Bis(4,4'-dimethyl-2,2'-bipyridine-.kappa.n1,.kappa.n1')(2-(2,2':5',2''-terthiophen)-5-yl-1h-imidazo(4,5-f)(1,10)phenanthroline-.kappa.n7,.kappa.n8)-, Chloride (1:2), (oc-6-21)-

    8. Ruthenium(2+), Bis(4,4'-dimethyl-2,2'-bipyridine-kappan1,kappan1')(2-(2,2':5',2''-terthiophen)-5-yl-1h-imidazo(4,5-f)(1,10)phenanthroline-kappan7,kappan8)-, Chloride (1:2), (oc-6-21)-

    2.4 Create Date
    2020-01-23
    3 Chemical and Physical Properties
    Molecular Weight 1007.1 g/mol
    Molecular Formula C49H38Cl2N8RuS3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count12
    Rotatable Bond Count5
    Exact Mass1006.080202 g/mol
    Monoisotopic Mass1006.080202 g/mol
    Topological Polar Surface Area191 Ų
    Heavy Atom Count63
    Formal Charge0
    Complexity843
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count6