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

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    Tanomastat

    APIs // Active Pharmaceutical Ingredients

    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as: 179545-77-8, Bay 12-9566, Bay-12-9566, (s)-4-(4'-chloro-[1,1'-biphenyl]-4-yl)-4-oxo-2-((phenylthio)methyl)butanoic acid, Am1zx94exh, Bay-129566
    Molecular Formula
    C23H19ClO3S
    Molecular Weight
    410.9  g/mol
    InChI Key
    JXAGDPXECXQWBC-LJQANCHMSA-N
    FDA UNII
    AM1ZX94EXH
    Tanomastat is a biphenyl matrix metalloproteinase (MMP) inhibitor (MMPI) with potential antineoplastic activity. Tanomastat inhibits MMP-2, MMP-3, and MMP-9, inhibiting extracellular matrix degradation and potentially inhibiting angiogenesis, tumor growth and invasion, and metastasis. MMPs consist of at least 18 zinc-containing endo-proteinases that are capable of degrading collagen and proteoglycan.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-4-[4-(4-chlorophenyl)phenyl]-4-oxo-2-(phenylsulfanylmethyl)butanoic acid
    2.1.2 InChI
    InChI=1S/C23H19ClO3S/c24-20-12-10-17(11-13-20)16-6-8-18(9-7-16)22(25)14-19(23(26)27)15-28-21-4-2-1-3-5-21/h1-13,19H,14-15H2,(H,26,27)/t19-/m1/s1
    2.1.3 InChI Key
    JXAGDPXECXQWBC-LJQANCHMSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C=C1)SCC(CC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Cl)C(=O)O
    2.1.5 Isomeric SMILES
    C1=CC=C(C=C1)SC[C@@H](CC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Cl)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    AM1ZX94EXH
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Bay 12-9566

    2. Bay 12-9566n

    3. Bay 129566

    4. Bay-12-9566

    2.3.2 Depositor-Supplied Synonyms

    1. 179545-77-8

    2. Bay 12-9566

    3. Bay-12-9566

    4. (s)-4-(4'-chloro-[1,1'-biphenyl]-4-yl)-4-oxo-2-((phenylthio)methyl)butanoic Acid

    5. Am1zx94exh

    6. Bay-129566

    7. Chembl261932

    8. (s)-4-[4-(4-chlorophenyl)phenyl]-4-oxo-2-(phenylsulfanylmethyl)butanoic Acid

    9. (2s)-4-[4-(4-chlorophenyl)phenyl]-4-oxo-2-(phenylsulfanylmethyl)butanoic Acid

    10. [1,1'-biphenyl]-4-butanoic Acid, 4'-chloro-gamma-oxo-alpha-[(phenylthio)methyl]-, (alphas)-

    11. C23h19clo3s

    12. Tanomastat [usan:inn]

    13. Unii-am1zx94exh

    14. (1,1'-biphenyl)-4-butanoic Acid, 4'-chloro-gamma-oxo-alpha-((phenylthio)methyl)-, (alphas)-

    15. Tanomastat [inn]

    16. Tanomastat (usan/inn)

    17. Tanomastat [usan]

    18. Tanomastat [who-dd]

    19. Schembl153066

    20. Bay12-9566

    21. Gtpl6468

    22. Bay 129566

    23. Dtxsid60870145

    24. Chebi:188765

    25. Ex-a7633

    26. Bay 12-9566n

    27. Bdbm50084661

    28. Akos015911399

    29. Bay 12-9566 N

    30. Db06276

    31. (s)-4'-chloro-gamma-oxo-alpha-((phenylthio)methyl)(1,1'-biphenyl)-4-butanoic Acid

    32. Hy-12168

    33. Cs-0003131

    34. Ft-0674808

    35. Ns00068311

    36. C90420

    37. D03802

    38. (1,1'-biphenyl)-4-butanoic Acid, 4'-chloro-gamma-oxo-alpha-((phenylthio)methyl)-, (s)-

    39. (2s)-4-[4-(4-chlorophenyl)phenyl]-4-oxo-2-(phenylsulanylmethyl)butanoic Acid

    40. (s)-3-((4'-chloro-4-biphenylyl)carbonyl)-2-((phenylthio)methyl)propionic Acid

    41. (s)-4-(4'-chloro-[1,1'-biphenyl]-4-yl)-4-oxo-2-((phenylthio)methyl)butanoicacid

    42. 4-(4''-chloro-biphenyl-4-yl)-4-oxo-2-phenylsulfanylmethyl-butyric Acid(bay-12-9566)

    2.4 Create Date
    2006-07-28
    3 Chemical and Physical Properties
    Molecular Weight 410.9 g/mol
    Molecular Formula C23H19ClO3S
    XLogP35.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count8
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area79.7
    Heavy Atom Count28
    Formal Charge0
    Complexity504
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Drug Indication

    Investigated for use/treatment in pancreatic cancer, lung cancer, ovarian cancer, and osteoarthritis.

    5 Pharmacology and Biochemistry
    5.1 MeSH Pharmacological Classification

    Antineoplastic Agents

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

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