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    Neflamapimod

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
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    2D Structure
    Also known as: 209410-46-8, Vx-745, 5-(2,6-dichlorophenyl)-2-((2,4-difluorophenyl)thio)-6h-pyrimido[1,6-b]pyridazin-6-one, Vx 745, Vx745, 5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfanylpyrimido[1,6-b]pyridazin-6-one
    Molecular Formula
    C19H9Cl2F2N3OS
    Molecular Weight
    436.3  g/mol
    InChI Key
    VEPKQEUBKLEPRA-UHFFFAOYSA-N
    FDA UNII
    TYL52QM320
    Neflamapimod has been used in trials studying the treatment of Alzheimer's Disease and Mild Cognitive Impairment.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfanylpyrimido[1,6-b]pyridazin-6-one
    2.1.2 InChI
    InChI=1S/C19H9Cl2F2N3OS/c20-11-2-1-3-12(21)17(11)18-14-5-7-16(25-26(14)9-24-19(18)27)28-15-6-4-10(22)8-13(15)23/h1-9H
    2.1.3 InChI Key
    VEPKQEUBKLEPRA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=C(C(=C1)Cl)C2=C3C=CC(=NN3C=NC2=O)SC4=C(C=C(C=C4)F)F)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    TYL52QM320
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 6h-pyrimido(1,6-b)pyridazin-6-one,5-(2,6-dichlorophenyl)-2-(phenylthio)-

    2. Vx-745

    2.3.2 Depositor-Supplied Synonyms

    1. 209410-46-8

    2. Vx-745

    3. 5-(2,6-dichlorophenyl)-2-((2,4-difluorophenyl)thio)-6h-pyrimido[1,6-b]pyridazin-6-one

    4. Vx 745

    5. Vx745

    6. 5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfanylpyrimido[1,6-b]pyridazin-6-one

    7. Vrt-031745

    8. Neflamapimod [usan]

    9. 5-(2,6-dichlorophenyl)-2-(2,4-difluorophenylthio)-6h-pyrimido[1,6-b]pyridazin-6-one

    10. Vd-31745

    11. Vd-31,745

    12. Tyl52qm320

    13. Chebi:90528

    14. 5-(2,6-dichlorophenyl)-2-[2,4-difluorophenyl)thio]-6h-pyrimido[1,6-b]pyridazin-6-one

    15. Neflamapimod (usan)

    16. 5-(2,6-dichlorophenyl)-2-((2,4-difluorophenyl)-thio)-6h-pyrimido[1,6-b]pyridazin-6-one

    17. 5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)sulfanyl]-6h-pyrimido[1,6-b]pyridazin-6-one

    18. 5-(2,6-dichlorophenyl)-2-((2,4-difluorophenyl)thio)-6h-pyrimido(1,6-b)pyridazin-6-one

    19. 5-(2,6-dichlorophenyl)-2-(2,4-difluorophenylsulfanyl)-6h-pyrimido[3,4-b]pyridazin-6-one

    20. 6h-pyrimido(1,6-b)pyridazin-6-one, 5-(2,6-dichlorophenyl)-2-((2,4-difluorophenyl)thio)-

    21. 6h-pyrimido[1,6-b]pyridazin-6-one, 5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)thio]-

    22. C19h9cl2f2n3os

    23. Hexadecylacrylate

    24. Kinome_3767

    25. Neflamapimod [inn]

    26. Unii-tyl52qm320

    27. Mls006010281

    28. Neflamapimod [who-dd]

    29. Schembl156367

    30. Chembl119385

    31. Gtpl5719

    32. Bdbm15244

    33. Cid_3038525

    34. Dtxsid90175115

    35. Ex-a854

    36. Bcpp000015

    37. Hms3295m13

    38. Hms3654l10

    39. Hms3884m17

    40. Vd-31

    41. Bcp01837

    42. Ac-707

    43. Mfcd09834070

    44. Nsc785334

    45. S1458

    46. Zinc13493055

    47. Akos005766014

    48. Am84727

    49. Ccg-269082

    50. Cs-0195

    51. Db07138

    52. Ex-8451

    53. Nsc-785334

    54. Sb19425

    55. 5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfanylpyridazino[6,1-f]pyrimidin-6-one

    56. Ncgc00241111-01

    57. Ncgc00241111-02

    58. Ncgc00241111-12

    59. Hy-10328

    60. Smr004701351

    61. Db-000564

    62. Vx-745, >=98% (hplc)

    63. Ft-0654042

    64. Sw219693-1

    65. D10959

    66. 410v468

    67. 5t-0205

    68. A815037

    69. J-013730

    70. J-516084

    71. Brd-k91900765-001-01-9

    72. Q27089208

    73. 5-(2,6-dichloro-phenyl)-2-(2,4-difluoro-phenylsulfanyl)-1,7,8a-triaza-naphthalen-6-one

    74. 5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)sulfanyl]-6h-pyrimido[1,6-a]pyridazin-6-one

    75. 5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)thio]-6-pyrimido[1,6-b]pyridazinone

    76. 5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)thio]pyrimido[1,6-b]pyridazin-6-one

    77. 5-(2,6-dichlorophenyl)-2-((2,4-difluorophenyl)thio)-6h-pyrimido(1,6-b)pyridazine-6-one

    78. 5-(2,6-dichlorophenyl)-9-(2,4-difluorophenyl)sulfanyl-1,3,10-triazabicyclo[4.4.0]deca-2,5,7,9-tetraen-4-one

    79. 5-[2,6-bis(chloranyl)phenyl]-2-[2,4-bis(fluoranyl)phenyl]sulfanyl-pyrimido[1,6-b]pyridazin-6-one

    2.4 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 436.3 g/mol
    Molecular Formula C19H9Cl2F2N3OS
    XLogP35.1
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count3
    Exact Mass434.9811448 g/mol
    Monoisotopic Mass434.9811448 g/mol
    Topological Polar Surface Area70.3 Ų
    Heavy Atom Count28
    Formal Charge0
    Complexity762
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1