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    Dalcetrapib

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
    $ API Ref.Price (USD/KG) : 177,429Xls

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    2D Structure
    Also known as: 211513-37-0, Jtt-705, Dalcetrapib (jtt-705, ro4607381), Ro4607381, Ro-4607381, Jtt 705
    Molecular Formula
    C23H35NO2S
    Molecular Weight
    389.6  g/mol
    InChI Key
    YZQLWPMZQVHJED-UHFFFAOYSA-N
    FDA UNII
    3D050LIQ3H
    Dalcetrapib is a cholesteryl ester transfer protein (CETP) inhibitor that can produce an increase in serum HDL-cholesterol levels and a decrease in serum LDL-cholesterol levels. Dalcetrapib is structurally dissimilar from other CETP inhibitors, including torcetrapib, and raises functional HDL by a different mechanism.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    S-[2-[[1-(2-ethylbutyl)cyclohexanecarbonyl]amino]phenyl] 2-methylpropanethioate
    2.1.2 InChI
    InChI=1S/C23H35NO2S/c1-5-18(6-2)16-23(14-10-7-11-15-23)22(26)24-19-12-8-9-13-20(19)27-21(25)17(3)4/h8-9,12-13,17-18H,5-7,10-11,14-16H2,1-4H3,(H,24,26)
    2.1.3 InChI Key
    YZQLWPMZQVHJED-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCC(CC)CC1(CCCCC1)C(=O)NC2=CC=CC=C2SC(=O)C(C)C
    2.2 Other Identifiers
    2.2.1 UNII
    3D050LIQ3H
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Jtt 705

    2. Jtt-705

    3. Jtt705

    4. Ro-4607381

    5. Ro4607381

    6. S-(2-((1-(2-ethylbutyl)cyclohexane)carbonylamino)phenyl) 2-methylpropanethioate

    2.3.2 Depositor-Supplied Synonyms

    1. 211513-37-0

    2. Jtt-705

    3. Dalcetrapib (jtt-705, Ro4607381)

    4. Ro4607381

    5. Ro-4607381

    6. Jtt 705

    7. Jtt705

    8. S-[2-[[1-(2-ethylbutyl)cyclohexanecarbonyl]amino]phenyl] 2-methylpropanethioate

    9. 2-methylpropanethioic Acid S-[2-[1-(2-ethylbutyl)cyclohexylcarboxamido]phenyl] Ester

    10. 3d050liq3h

    11. Chembl313006

    12. S-(2-(1-(2-ethylbutyl)cyclohexanecarboxamido)phenyl) 2-methylpropanethioate

    13. S-2-(1-(2-ethylbutyl)cyclohexanecarboxamido)phenyl 2-methylpropanethioate

    14. S-[2-({[1-(2-ethylbutyl)cyclohexyl]carbonyl}amino)phenyl] 2-methylpropanethioate

    15. Thioisobutyric Acid S-(2-{[1-(2-ethyl-butyl)-cyclohexanecarbonyl]-amino}-phenyl) Ester

    16. Rg-1658

    17. Dalcetrapib [mi]

    18. Dalcetrapib [inn]

    19. Dalcetrapib (usan/inn)

    20. Dalcetrapib [usan:inn]

    21. Dalcetrapib [usan]

    22. Dalcetrapib (jtt-705)

    23. Unii-3d050liq3h

    24. Dalcetrapib [who-dd]

    25. Schembl528622

    26. Chebi:95001

    27. Dalcetrapib, >=97% (hplc)

    28. Dtxsid70943475

    29. Ex-a092

    30. Bcpp000268

    31. Hms3656f06

    32. Amy21305

    33. Zinc3976476

    34. Bdbm50092197

    35. Mfcd06407886

    36. S2772

    37. Dalcetrapib Pound Jtt-705 Pound(c)

    38. Akos015966940

    39. Bcp9000580

    40. Ccg-264995

    41. Cs-0916

    42. Db12181

    43. Pb12356

    44. S-(2-(1-(2-ethylbutyl)cyclohexane-1-carboxamido)phenyl) 2-methylpropanethioate

    45. Ncgc00386198-05

    46. Ac-27462

    47. As-55940

    48. Hy-14950

    49. Dalcetrapib (jtt-705; Ro-4607381)

    50. Ft-0769704

    51. Sw219843-1

    52. A25148

    53. D09708

    54. J-510086

    55. Q5210285

    56. Brd-k18849474-001-01-0

    57. Jtt-705;s-2-(2-ethylbutyl)-2-formamidocyclohexyl 2-methyl-2-phenylpropanethioate

    58. S-[2-[1-(2-ethylbutyl)cyclohexanecarbonylamino]-phenyl] 2-methylthiopropionate

    59. Propanethioic Acid, 2-methyl-, S-(2-(((1-(2-ethylbutyl)cyclohexyl)carbonyl)amino)phenyl) Ester

    2.4 Create Date
    2006-07-28
    3 Chemical and Physical Properties
    Molecular Weight 389.6 g/mol
    Molecular Formula C23H35NO2S
    XLogP37.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count9
    Exact Mass389.23885053 g/mol
    Monoisotopic Mass389.23885053 g/mol
    Topological Polar Surface Area71.5 Ų
    Heavy Atom Count27
    Formal Charge0
    Complexity481
    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

    Lipoprotein deficiency

    5 Pharmacology and Biochemistry
    5.1 MeSH Pharmacological Classification

    Anticholesteremic Agents

    Substances used to lower plasma cholesterol levels. (See all compounds classified as Anticholesteremic Agents.)