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

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    Alisporivir

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    DIGITAL CONTENT

    PharmaCompass

    Inke S.A: APIs manufacturing plant.

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    2D Structure
    1. Also known as: Debio-025, 254435-95-5, Debio 025, Unil 025, Unil-025, Deb-025
    Molecular Formula
    C63H113N11O12
    Molecular Weight
    1216.6  g/mol
    InChI Key
    OLROWHGDTNFZBH-XEMWPYQTSA-N
    FDA UNII
    VBP9099AA6
    Alisporivir is a non-immunosuppressive analogue of cyclosporine A and an inhibitor of cyclophilins, with potential antiviral activity. Upon oral administration, alisporivir targets and inhibits human host cyclophilins, thereby inhibiting hepatitis C virus (HCV) replication in hepatocytes. Alisporivir may also inhibit the replication of various coronaviruses. In addition, it may inhibit mitochondrial cyclophilin-D, which regulates mitochondrial permeability transition pore (mPTP) opening. This may prevent cell death and tissue damage.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3S,6S,9S,12R,15S,18S,21S,24S,27R,30S,33S)-25,30-diethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,27,28-nonamethyl-6,9,18-tris(2-methylpropyl)-3,21,24-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
    2.1.2 InChI
    InChI=1S/C63H113N11O12/c1-26-29-30-40(16)52(75)51-56(79)66-44(27-2)59(82)68(20)43(19)58(81)74(28-3)49(38(12)13)55(78)67-48(37(10)11)62(85)69(21)45(31-34(4)5)54(77)64-41(17)53(76)65-42(18)57(80)70(22)46(32-35(6)7)60(83)71(23)47(33-36(8)9)61(84)72(24)50(39(14)15)63(86)73(51)25/h26,29,34-52,75H,27-28,30-33H2,1-25H3,(H,64,77)(H,65,76)(H,66,79)(H,67,78)/b29-26+/t40-,41+,42-,43-,44+,45+,46+,47+,48+,49+,50+,51+,52-/m1/s1
    2.1.3 InChI Key
    OLROWHGDTNFZBH-XEMWPYQTSA-N
    2.1.4 Canonical SMILES
    CCC1C(=O)N(C(C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)C(C)C)CC)C)C
    2.1.5 Isomeric SMILES
    CC[C@H]1C(=O)N([C@@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)C(C)C)CC)C)C
    2.2 Other Identifiers
    2.2.1 UNII
    VBP9099AA6
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Debio-025

    2. Meala(3)etval(4)-cyclosporin

    3. Unil 025

    4. Unil-025

    5. Unil025

    2.3.2 Depositor-Supplied Synonyms

    1. Debio-025

    2. 254435-95-5

    3. Debio 025

    4. Unil 025

    5. Unil-025

    6. Deb-025

    7. Deb025

    8. (d-meala)3-(etval)4-csa

    9. Vbp9099aa6

    10. Chembl1651956

    11. Deb 025

    12. Alisporivir (usan)

    13. Alisporivir [usan]

    14. (3s,6s,9s,12r,15s,18s,21s,24s,27r,30s,33s)-25,30-diethyl-33-((1r,2r,e)-1-hydroxy-2-methylhex-4-en-1-yl)-6,9,18-triisobutyl-3,21,24-triisopropyl-1,4,7,10,12,15,19,27,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone

    15. Cyclo(l-alanyl-d-alanyl-n-methyl-l-leucyl-n-methyl-l-leucyl-n-methyl-l-valyl-(2s,3r,4r,6e)-3-hydroxy-4-methyl-2-(methylamino)-6-octenoyl-(2s)-2-aminobutanoyl-n-methyl-d-alanyl-n-ethyl-l-valyl-l-valyl-n-methyl-l-leucyl)

    16. Alisporivir [inn]

    17. Alisporivir [usan:inn]

    18. Unii-vbp9099aa6

    19. Unil025

    20. Meala(3)etval(4)-cyclosporin

    21. Alisporivir [who-dd]

    22. Debio-025;deb-025

    23. Schembl6850787

    24. Chebi:149837

    25. Dtxsid401027752

    26. Bdbm50339127

    27. De-025

    28. Cs-7501

    29. Db12139

    30. Hy-12559

    31. D10087

    32. Q4727236

    33. (3s,6s,9s,12r,15s,18s,21s,24s,27r,30s,33s)-25,30-diethyl-33-((1r,2r)-1-hydroxy-2-methylhex-4-enyl)-6,9,18-triisobutyl-3,21,24-triisopropyl-1,4,7,10,12,15,19,27,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone

    34. (3s,6s,9s,12r,15s,18s,21s,24s,27r,30s,33s)-25,30-diethyl-33-((1r,2r,e)-1-hydroxy-2-methylhex-4-enyl)-6,9,18-triisobutyl-3,21,24-triisopropyl-1,4,7,10,12,15,19,27,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone

    35. (3s,6s,9s,12r,15s,18s,21s,24s,27r,30s,33s)-25,30-diethyl-33-[(1r,2r,4e)-1-hydroxy-2-methylhex-4-en-1-yl]-1,4,7,10,12,15,19,27,28-nonamethyl-6,9,18-tris(2-methylpropyl)-3,21,24-tris(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecone

    36. (3s,6s,9s,12r,15s,18s,21s,24s,27r,30s,33s)-25,30-diethyl-33-[(e,1r,2r)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,27,28-nonamethyl-6,9,18-tris(2-methylpropyl)-3,21,24-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 1216.6 g/mol
    Molecular Formula C63H113N11O12
    XLogP37.9
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count12
    Rotatable Bond Count15
    Exact Mass1215.85701808 g/mol
    Monoisotopic Mass1215.85701808 g/mol
    Topological Polar Surface Area279 Ų
    Heavy Atom Count86
    Formal Charge0
    Complexity2360
    Isotope Atom Count0
    Defined Atom Stereocenter Count13
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Drug Indication

    Treatment of chronic hepatitis C

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