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    7-Hydroxystaurosporine

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Ucn-02, Chembl574737, 121569-61-7, Ucn 02, Kw-2401, Ucn01
    Molecular Formula
    C28H26N4O4
    Molecular Weight
    482.5  g/mol
    InChI Key
    PBCZSGKMGDDXIJ-KRUBCLEUSA-N
    (2S,3R,4R,6R,18S)-18-hydroxy-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1,.0,.0,.0,.0,.0,]nonacosa-8(13),9,11,14(28),15(19),20(27),21(26),22,24-nonaen-16-one is a natural product found in Streptomyces with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S,3R,4R,6R,18S)-18-hydroxy-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one
    2.1.2 InChI
    InChI=1S/C28H26N4O4/c1-28-25(35-3)15(29-2)12-18(36-28)31-16-10-6-4-8-13(16)19-21-22(27(34)30-26(21)33)20-14-9-5-7-11-17(14)32(28)24(20)23(19)31/h4-11,15,18,25,27,29,34H,12H2,1-3H3,(H,30,33)/t15-,18-,25-,27+,28+/m1/s1
    2.1.3 InChI Key
    PBCZSGKMGDDXIJ-KRUBCLEUSA-N
    2.1.4 Canonical SMILES
    CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)C(NC6=O)O)NC)OC
    2.1.5 Isomeric SMILES
    C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)[C@@H](NC6=O)O)NC)OC
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 7-epi-hydroxystaurosporine

    2. 7-hydroxy-staurosporine

    3. 7-hydroxystaurosporine

    4. 8,12-epoxy-1h,8h-2,7b,12a-triazadibenzo(a,g)cyclonona(cde)triinden-1-one, 2,3,9,10,11,12-hexahydro-3-hydroxy-9-methoxy-8-methyl-10-(methylamino)-

    5. Ucn 01

    6. Ucn 02

    7. Ucn-02

    2.2.2 Depositor-Supplied Synonyms

    1. Ucn-02

    2. Chembl574737

    3. 121569-61-7

    4. Ucn 02

    5. Kw-2401

    6. Ucn01

    7. Schembl16946789

    8. Dtxsid60923867

    9. Hms3229l19

    10. Bdbm50280450

    11. Nsc800958

    12. Zinc33901069

    13. Nsc-800958

    14. Ncgc00346827-02

    15. Ucn-01, >=97% (hplc), Powder

    16. 8,12-epoxy-1h,8h-2,7b,12a-triazadibenzo(a,g)cyclonona(cde)trinden-1-one, 2,3,9,10,11,12-hexahydro-3-hydroxy-9-methoxy-8-methyl-10-(methylamino)-

    17. 9,13-epoxy-1h,9h-diindolo(1,2,3-gh:3',2',1'-lm)pyrrolo(3,4-j)(1,7)benzodiazon-1-one, 2,3,10,11,12,13-hexahydro-3-hydroxy-10-methoxy-9-methyl-11-(methylamino)-, (3-alpha,9-alpha,10-beta,11-beta,13-alpha)-

    18. Hy-108262

    19. Cs-0027882

    20. (2s,3r,4r,6r,18s)-18-hydroxy-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one

    21. 18-hydroxy-3-methoxy-2-methyl-4-methylamino-(2r,3s,4s,6s)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8(13),9,11,14(28),15(19),20(27),21(26),22,24-nonaen-16-one

    22. 8-methoxy-9-methyl-7-(methylamino)-6,7,8,9-tetrahydro-5h,14h-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacene-14,16-diol

    2.3 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 482.5 g/mol
    Molecular Formula C28H26N4O4
    XLogP32.7
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count2
    Exact Mass482.19540532 g/mol
    Monoisotopic Mass482.19540532 g/mol
    Topological Polar Surface Area89.7 Ų
    Heavy Atom Count36
    Formal Charge0
    Complexity935
    Isotope Atom Count0
    Defined Atom Stereocenter Count5
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Antineoplastic Agents

    Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)

    Protein Kinase Inhibitors

    Agents that inhibit PROTEIN KINASES. (See all compounds classified as Protein Kinase Inhibitors.)