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    Cetilistat

    ACTIVE PHARMA INGREDIENTS

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 282526-98-1, Citilistat, Atl-962, 2-(hexadecyloxy)-6-methyl-4h-3,1-benzoxazin-4-one, Atl 962, 2-hexadecoxy-6-methyl-3,1-benzoxazin-4-one
    Molecular Formula
    C25H39NO3
    Molecular Weight
    401.6  g/mol
    InChI Key
    MVCQKIKWYUURMU-UHFFFAOYSA-N
    FDA UNII
    LC5G1JUA39
    Cetilistat is a novel inhibitor of pancreatic lipase being developed by Alizyme for the treatment of obesity and associated co-morbidities, including type 2 diabetes.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-hexadecoxy-6-methyl-3,1-benzoxazin-4-one
    2.1.2 InChI
    InChI=1S/C25H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28-25-26-23-18-17-21(2)20-22(23)24(27)29-25/h17-18,20H,3-16,19H2,1-2H3
    2.1.3 InChI Key
    MVCQKIKWYUURMU-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCCCCCCCCCCCCCCOC1=NC2=C(C=C(C=C2)C)C(=O)O1
    2.2 Other Identifiers
    2.2.1 UNII
    LC5G1JUA39
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-(hexadecyloxy)-6-methyl-4h-3,1-benzoxazin-4-one

    2. Atl-962

    2.3.2 Depositor-Supplied Synonyms

    1. 282526-98-1

    2. Citilistat

    3. Atl-962

    4. 2-(hexadecyloxy)-6-methyl-4h-3,1-benzoxazin-4-one

    5. Atl 962

    6. 2-hexadecoxy-6-methyl-3,1-benzoxazin-4-one

    7. 4h-3,1-benzoxazin-4-one, 2-(hexadecyloxy)-6-methyl-

    8. 2-hexadecyloxy-6-methyl-4h-3,1-benzoxazin-4-one

    9. Lc5g1jua39

    10. 2-(hexadecyloxy)-6-methyl-4h-benzo[d][1,3]oxazin-4-one

    11. Cetilistat [inn]

    12. Oblean

    13. Cametor

    14. Unii-lc5g1jua39

    15. Cetilistat (jan/usan/inn)

    16. Atl962

    17. Cetilistat [usan:inn:ban:jan]

    18. Oblean (tn)

    19. Cetilistat [mi]

    20. Cetilistat [jan]

    21. Cetilistat [usan]

    22. Cetilistat [who-dd]

    23. Schembl367612

    24. Chembl2103825

    25. Gtpl11433

    26. Dtxsid90182506

    27. Ex-a983

    28. Chebi:134721

    29. Hms3873m13

    30. Act02675

    31. Amy25231

    32. Bcp07371

    33. Ac-219

    34. Mfcd09839697

    35. S4930

    36. Zinc14128264

    37. Akos015915375

    38. Ccg-268665

    39. Cs-5623

    40. Db06586

    41. Ks-1251

    42. Sb17399

    43. Atl-962;atl962;atl 962

    44. Ncgc00408859-01

    45. Bc166233

    46. Hy-14471

    47. Ft-0657021

    48. D09208

    49. F16711

    50. 526c981

    51. A819389

    52. Q3010545

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 401.6 g/mol
    Molecular Formula C25H39NO3
    XLogP39.8
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count16
    Exact Mass401.29299411 g/mol
    Monoisotopic Mass401.29299411 g/mol
    Topological Polar Surface Area47.9 Ų
    Heavy Atom Count29
    Formal Charge0
    Complexity477
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    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 obesity.

    5 Pharmacology and Biochemistry
    5.1 MeSH Pharmacological Classification

    Anti-Obesity Agents

    Agents that increase energy expenditure and weight loss by neural and metabolic regulation. (See all compounds classified as Anti-Obesity Agents.)

    Enzyme Inhibitors

    Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)

    Lipid Regulating Agents

    Substances that alter the metabolism of LIPIDS. (See all compounds classified as Lipid Regulating Agents.)

    5.2 Mechanism of Action

    Cetilistat is a gastrointestinal lipase inhibitor that blocks fat digestion and absorption, leading to reduced energy intake, and thus weight loss. It is distinct from most other anti-obesity agents as it does not act on the brain to reduce appetite, but acts peripherally. The compound remains in the gastrointestinal tract with no significant absorption into the body.