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    Panobinostat lactate

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    2D Structure
    Also known as: 960055-56-5, Panobinostat lactate [jan], Panobinostat (lactate), Hn0t99oo4v, Panobinostat lactate anhydrous, Chebi:85991
    Molecular Formula
    C24H29N3O5
    Molecular Weight
    439.5  g/mol
    InChI Key
    XVDWNSFFSMWXJJ-ASTDGNLGSA-N
    FDA UNII
    HN0T99OO4V
    Panobinostat Lactate is the lactate form of panobinostat, a pan histone deacetylase (HDAC) inhibitor, with potential antineoplastic activity. Upon administration, panobinostat selectively targets, binds to and inhibits HDAC, which induces hyperacetylation of core histone proteins. The accumulation of highly acetylated histones leads to chromatin remodeling, an altered pattern of gene expression, inhibition of tumor oncogene transcription and the selective transcription of tumor suppressor genes. This results in the inhibition of tumor cell division and the induction of tumor cell apoptosis. HDAC, upregulated in many tumor cell types, is an enzyme family that deacetylates histone proteins.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (E)-N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide;2-hydroxypropanoic acid
    2.1.2 InChI
    InChI=1S/C21H23N3O2.C3H6O3/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26;1-2(4)3(5)6/h2-11,22-23,26H,12-14H2,1H3,(H,24,25);2,4H,1H3,(H,5,6)/b11-10+;
    2.1.3 InChI Key
    XVDWNSFFSMWXJJ-ASTDGNLGSA-N
    2.1.4 Canonical SMILES
    CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)C=CC(=O)NO.CC(C(=O)O)O
    2.1.5 Isomeric SMILES
    CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO.CC(C(=O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    HN0T99OO4V
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 960055-56-5

    2. Panobinostat Lactate [jan]

    3. Panobinostat (lactate)

    4. Hn0t99oo4v

    5. Panobinostat Lactate Anhydrous

    6. Chebi:85991

    7. 960055-56-5 (lactate)

    8. (e)-n-hydroxy-3-(4-(((2-(2-methyl-1h-indol-3-yl)ethyl)amino)methyl)phenyl)acrylamide 2-hydroxypropanoate

    9. Farydak (tn)

    10. Panobinostat Lactate (jan)

    11. (2e)-n-hydroxy-3-(4-(((2-(2-methyl-1h-indol-3-yl)ethyl)amino(methyl)phenyl)prop-2-enamide Mono((2rs)-2-hydroxypropanoate)

    12. Propanoic Acid, 2-hydroxy-, Compd. With (2e)-n-hydroxy-3-(4-(((2-(2-methyl-1h-indol-3-yl)ethyl)amino)methyl)phenyl)-2-propenamide (1:1)

    13. (2e)-n-hydroxy-3-[4-({[2-(2-methyl-1h-indol-3-yl)ethyl]amino}methyl)phenyl]acrylamide Lactic Acid

    14. Unii-hn0t99oo4v

    15. Propanoic Acid, 2-hydroxy-, Compd. With (2e)-n-hydroxy-3-[4-[[[2-(2-methyl-1h-indol-3-yl)ethyl]amino]methyl]phenyl]-2-propenamide (1:1)

    16. Panobinostat Dl-lactate

    17. Schembl2315056

    18. Schembl2315067

    19. Chembl3545368

    20. Dtxsid401026247

    21. Bcp25197

    22. Ex-a2659

    23. Hy-10224a

    24. Panobinostat Lactate [who-dd]

    25. Panobinostat Lactate [orange Book]

    26. Cs-0030991

    27. D10019

    28. A917191

    29. Q27158837

    30. (2e)-n-hydroxy-3-[4-({[2-(2-methyl-1h-indol-3-yl)ethyl]amino}methyl)phenyl]prop-2-enamide; 2-hydroxypropanoic Acid

    31. (e)-n-hydroxy-3-(4-(((2-(2-methyl-1h-indol-3-yl)ethyl)amino)methyl)phenyl)acrylamide2-hydroxypropanoate

    32. (e)-n-hydroxy-3-[4-[[2-(2-methyl-1h-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide;2-hydroxypropanoic Acid

    33. 2-hydroxypropanoic Acid--(2e)-n-hydroxy-3-[4-({[2-(2-methyl-1h-indol-3-yl)ethyl]amino}methyl)phenyl]prop-2-enamide (1/1)

    34. N-({4-[(1e)-3-(hydroxyamino)-3-oxoprop-1-en-1-yl]phenyl}methyl)-2-(2-methyl-1h-indol-3-yl)ethan-1-aminium 2-hydroxypropanoate

    35. N-hydroxy-3-[4-[[[2-(2-methyl-1h-indol-3-yl) Ethyl]amino]methyl]phenyl]-2e-2-propenamide Dl-lactate Salt

    36. N-hydroxy-3-[4-[[[2-(2-methyl-1h-indol-3-yl)ethyl]amino]methyl]phenyl]-2e-2-propenamide Dl-lactate Salt

    37. N-hydroxy-3-[4-[[[2-(2-methyl-1h-indol-3-yl)ethyl]amino]methyl]phenyl]-2e-2-propenamide Lactate Salt

    2.4 Create Date
    2008-02-11
    3 Chemical and Physical Properties
    Molecular Weight 439.5 g/mol
    Molecular Formula C24H29N3O5
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count8
    Exact Mass439.21072103 g/mol
    Monoisotopic Mass439.21072103 g/mol
    Topological Polar Surface Area135 Ų
    Heavy Atom Count32
    Formal Charge0
    Complexity533
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Drug and Medication Information
    4.1 Drug Indication

    Farydak, in combination with bortezomib and dexamethasone, is indicated for the treatment of adult patients with relapsed and/or refractory multiple myeloma who have received at least two prior regimens including bortezomib and an immunomodulatory agent.

    Farydak, in combination with bortezomib and dexamethasone, is indicated for the treatment of adult patients with relapsed and/or refractory multiple myeloma who have received at least two prior regimens including bortezomib and an immunomodulatory agent.

    5 Pharmacology and Biochemistry
    5.1 ATC Code

    L01XH03