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    Picibanil

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    2D Structure
    Also known as: 39325-01-4, Ok 432, Ok-432, 2f42bh7x2l, Dtxsid00192555, Nsc b116209
    Molecular Formula
    C16H17N2O4S-
    Molecular Weight
    333.4  g/mol
    InChI Key
    JGSARLDLIJGVTE-MBNYWOFBSA-M
    A lyophilized preparation of a low-virulence strain (SU) of Streptococcus pyogenes (S. hemolyticus), inactivated by heating with penicillin G. It has been proposed as a noncytotoxic antineoplastic agent because of its immune system-stimulating activity.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
    2.1.2 InChI
    InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/p-1/t11-,12+,14-/m1/s1
    2.1.3 InChI Key
    JGSARLDLIJGVTE-MBNYWOFBSA-M
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Picibanyl

    2. Ok-432

    3. Streptococcal Ok-432

    4. Streptococcal Preparation Ok-432

    2.2.2 Depositor-Supplied Synonyms

    1. 39325-01-4

    2. Ok 432

    3. Ok-432

    4. 2f42bh7x2l

    5. Dtxsid00192555

    6. Nsc B116209

    7. Picibanyl

    8. Streptococcal Ok432

    9. Streptococcal Ok 432

    10. Streptococcal Ok-432

    11. Streptococcal Preparation Ok432

    12. Streptococcal Preparation Ok 432

    13. Streptococcal Preparation Ok-432

    14. Nscb116209

    15. Ok432

    16. Refchem:929250

    17. Tara-002

    18. Dtxcid40115046

    19. Sapylin

    20. Unii-2f42bh7x2l

    21. Ccris 2776

    22. Benzylpenicillin(1-)

    23. (2s,5r,6r)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

    24. Bdbm37632

    25. Chebi:51354

    26. Cid_23664709

    27. Bdbm50377930

    28. Ncgc00021679-03

    29. Ncgc00021679-04

    30. Da-66713

    31. Ab00384263

    32. Ab00053517_15

    33. Ab00053517_16

    34. Q27122556

    35. 2,2-dimethyl-6beta-(phenylacetamido)penam-3alpha-carboxylate

    36. (2s,5r,6r)-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

    37. Potassium;(2s,5r,6r)-3,3-dimethyl-7-oxidanylidene-6-(2-phenylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

    38. Potassium;(2s,5r,6r)-3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

    39. Potassium;(2s,5r,6r)-7-keto-3,3-dimethyl-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

    2.3 Create Date
    2006-01-25
    3 Chemical and Physical Properties
    Molecular Weight 333.4 g/mol
    Molecular Formula C16H17N2O4S-
    XLogP32.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count3
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area115
    Heavy Atom Count23
    Formal Charge-1
    Complexity525
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    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.

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