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    Devazepide

    INTERMEDIATES

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 103420-77-5, Mk-329, Devazepidum, Mk 329, Devazepida, L-364,718
    Molecular Formula
    C25H20N4O2
    Molecular Weight
    408.5  g/mol
    InChI Key
    NFHRQQKPEBFUJK-HSZRJFAPSA-N
    FDA UNII
    JE6P7QY7NH
    A derivative of benzodiazepine that acts on the cholecystokinin A (CCKA) receptor to antagonize CCK-8's (SINCALIDE) physiological and behavioral effects, such as pancreatic stimulation and inhibition of feeding.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide
    2.1.2 InChI
    InChI=1S/C25H20N4O2/c1-29-21-14-8-6-12-18(21)22(16-9-3-2-4-10-16)27-23(25(29)31)28-24(30)20-15-17-11-5-7-13-19(17)26-20/h2-15,23,26H,1H3,(H,28,30)/t23-/m1/s1
    2.1.3 InChI Key
    NFHRQQKPEBFUJK-HSZRJFAPSA-N
    2.1.4 Canonical SMILES
    CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C3=CC4=CC=CC=C4N3)C5=CC=CC=C5
    2.1.5 Isomeric SMILES
    CN1C2=CC=CC=C2C(=N[C@@H](C1=O)NC(=O)C3=CC4=CC=CC=C4N3)C5=CC=CC=C5
    2.2 Other Identifiers
    2.2.1 UNII
    JE6P7QY7NH
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. L 364,718

    2. L-364,718

    3. L364,718

    4. Mk 329

    5. Mk-329

    6. Mk329

    2.3.2 Depositor-Supplied Synonyms

    1. 103420-77-5

    2. Mk-329

    3. Devazepidum

    4. Mk 329

    5. Devazepida

    6. L-364,718

    7. (s)-n-(2,3-dihydro-1-methyl-2-oxo-5-phenyl-1h-1,4-benzodiazepin-3-yl)indole-2-carboxamide

    8. L 364718

    9. Je6p7qy7nh

    10. L-364718

    11. Chembl9506

    12. Chebi:4460

    13. 3(s)-(-)-1,3-dihydro-3-(2-indolecarbonylamino)-1-methyl-5-phenyl-2h-(1,4)benzodiazepin-2-one

    14. Ncgc00159551-01

    15. Dsstox_cid_26092

    16. Dsstox_rid_81331

    17. Dsstox_gsid_46092

    18. 1h-indole-2-carboxamide, N-(2,3-dihydro-1-methyl-2-oxo-5-phenyl-1h-1,4-benzodiazepin-3-yl)-, (s)-

    19. Brn 5156082

    20. (s)-n-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1h-benzo[e][1,4]diazepin-3-yl)-1h-indole-2-carboxamide

    21. N-[(3s)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1h-1,4-benzodiazepin-3-yl]-1h-indole-2-carboxamide

    22. Cas-103420-77-5

    23. Devazepide [usan:inn]

    24. Devazepidum [inn-latin]

    25. Unii-je6p7qy7nh

    26. Devazepida [inn-spanish]

    27. Devacade

    28. L 364,718

    29. Devazepide [inn]

    30. Devazepide (usan/inn)

    31. Devazepide [usan]

    32. Cck Antagonist Synthetic 17

    33. Cck Antagonist Synthetic 18

    34. Schembl148766

    35. Dtxsid2046092

    36. Hms3268j20

    37. 1h-indole-2-carboxylic Acid (1-methyl-2-oxo-5-phenyl-2,3-dihydro-1h-benzo[e][1,4]diazepin-3-yl)-amide

    38. Zinc1847292

    39. Tox21_111744

    40. Bdbm50005463

    41. Nsc778303

    42. Pdsp1_000936

    43. Pdsp2_000922

    44. Akos024457038

    45. Devazepide, >=98% (hplc), Powder

    46. Tox21_111744_1

    47. Nsc-778303

    48. N-[(3s)-1-methyl-2-oxo-5-phenyl-3h-1,4-benzodiazepin-3-yl]-1h-indole-2-carboxamide

    49. Ncgc00159551-02

    50. Hy-106301

    51. B7008

    52. Cs-0025544

    53. D02693

    54. J-000963

    55. Q5266620

    56. Brd-k31238592-001-01-6

    57. (r)-1h-indole-2-carboxylic Acid (1-methyl-2-oxo-5-phenyl-2,3-dihydro-1h-benzo[e][1,4]diazepin-3-yl)-amide: 0.1c4h10o

    58. (s)-1h-indole-2-carboxylic Acid (1-methyl-2-oxo-5-phenyl-2,3-dihydro-1h-benzo[e][1,4]diazepin-3-yl)-amide

    59. (s,z)-n-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1h-benzo[e][1,4]diazepin-3-yl)-1h-indole-2-carboxamide

    60. (z)-n-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1h-benzo[e][1,4]diazepin-3-yl)-1h-indole-2-carboxamide

    61. 1h-indole-2-carboxylic Acid ((s)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1h-benzo[e][1,4]diazepin-3-yl)-amide

    62. 1h-indole-2-carboxylic Acid (1-methyl-2-oxo-5-phenyl-2,3-dihydro-1h-benzo[e][1,4]diazepin-3-yl)-amide (l-364,718 ((s)-devazepide)

    63. 1h-indole-2-carboxylic Acid (1-methyl-2-oxo-5-phenyl-2,3-dihydro-1h-benzo[e][1,4]diazepin-3-yl)-amide (mk-329, L-364,718)

    64. 1h-indole-2-carboxylic Acid (1-methyl-2-oxo-5-phenyl-2,3-dihydro-1h-benzo[e][1,4]diazepin-3-yl)-amide(devazepide Or (r) L364718)

    65. 1h-indole-2-carboxylic Acid (1-methyl-2-oxo-5-phenyl-2,3-dihydro-1h-benzo[e][1,4]diazepin-3-yl)-amide(devazepide)

    66. 1h-indole-2-carboxylic Acid (1-methyl-2-oxo-5-phenyl-2,3-dihydro-1h-benzo[e][1,4]diazepin-3-yl)-amide(l-364718)

    67. 1h-indole-2-carboxylic Acid (1-methyl-2-oxo-5-phenyl-2,3-dihydro-1h-benzo[e][1,4]diazepin-3-yl)-amide: 0.1c4h10o. 0.15ch2cl2

    68. N-[(3s)-2,3-dihydro-1-methyl-2-oxo-5-phenyl-1h-1,4-benzodiazepin-3-yl]-1h-indole-2-carboxamide

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 408.5 g/mol
    Molecular Formula C25H20N4O2
    XLogP34.2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass408.15862589 g/mol
    Monoisotopic Mass408.15862589 g/mol
    Topological Polar Surface Area77.6 Ų
    Heavy Atom Count31
    Formal Charge0
    Complexity716
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Hormone Antagonists

    Chemical substances which inhibit the function of the endocrine glands, the biosynthesis of their secreted hormones, or the action of hormones upon their specific sites. (See all compounds classified as Hormone Antagonists.)