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    Propentofylline

    ACTIVE PHARMA INGREDIENTS

    INTERMEDIATES

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 55242-55-2, Propentophylline, Hextol, Hwa 285, Karsivan, Hwa-285
    Molecular Formula
    C15H22N4O3
    Molecular Weight
    306.36  g/mol
    InChI Key
    RBQOQRRFDPXAGN-UHFFFAOYSA-N
    FDA UNII
    5RTA398U4H
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-methyl-1-(5-oxohexyl)-7-propylpurine-2,6-dione
    2.1.2 InChI
    InChI=1S/C15H22N4O3/c1-4-8-18-10-16-13-12(18)14(21)19(15(22)17(13)3)9-6-5-7-11(2)20/h10H,4-9H2,1-3H3
    2.1.3 InChI Key
    RBQOQRRFDPXAGN-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(=O)C
    2.2 Other Identifiers
    2.2.1 UNII
    5RTA398U4H
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1-(5'-oxohexyl)-3-methyl-7-propylxanthine

    2. Hwa 285

    3. Hwa-285

    2.3.2 Depositor-Supplied Synonyms

    1. 55242-55-2

    2. Propentophylline

    3. Hextol

    4. Hwa 285

    5. Karsivan

    6. Hwa-285

    7. 3-methyl-1-(5-oxohexyl)-7-propylxanthine

    8. 3-methyl-1-(5-oxohexyl)-7-propylpurine-2,6-dione

    9. 3-methyl-1-(5-oxohexyl)-7-propyl-1h-purine-2,6(3h,7h)-dione

    10. 3,7-dihydro-3-methyl-1-(5-oxohexyl)-7-propyl-1h-purine-2,6-dione

    11. 1h-purine-2,6-dione, 3,7-dihydro-3-methyl-1-(5-oxohexyl)-7-propyl-

    12. Nsc-752424

    13. 5rta398u4h

    14. 3-methyl-1-(5-oxohexyl)-7-propyl-3,7-dihydro-1h-purine-2,6-dione

    15. Ncgc00015861-04

    16. Albert-285

    17. Dsstox_cid_25189

    18. Dsstox_rid_80736

    19. Dsstox_gsid_45189

    20. Propentofylina

    21. Propentofyllinum

    22. Hoe-285

    23. Propentofylina [inn-spanish]

    24. Propentofyllinum [inn-latin]

    25. Cas-55242-55-2

    26. Sr-01000075642

    27. Brn 1156290

    28. Unii-5rta398u4h

    29. Viviq

    30. Propentofylline [inn:ban:jan]

    31. 3arx

    32. Poy

    33. Propentofylline, Solid

    34. 3as2

    35. Spectrum3_001834

    36. Lopac-p-9689

    37. Propentofylline (jan/inn)

    38. Propentofylline [mi]

    39. Lopac0_001015

    40. Schembl74602

    41. Bspbio_003507

    42. Propentofylline [inn]

    43. Propentofylline [jan]

    44. 5-26-14-00082 (beilstein Handbook Reference)

    45. Mls001060796

    46. Hwa285

    47. Propentofylline [mart.]

    48. Chembl1079905

    49. Dtxsid4045189

    50. Propentofylline [who-dd]

    51. Chebi:32061

    52. Kbio3_003012

    53. Hms2197a12

    54. Hms3263k11

    55. Hms3355f02

    56. Zinc1915505

    57. Tox21 110247

    58. Tox21_110247

    59. Tox21_501015

    60. Bdbm50492435

    61. Nsc752424

    62. Akos016003243

    63. Tox21_110247_1

    64. Ccg-205095

    65. Db06479

    66. Lp01015

    67. Nsc 752424

    68. Sdccgsbi-0050988.p003

    69. Ncgc00015861-01

    70. Ncgc00015861-02

    71. Ncgc00015861-03

    72. Ncgc00015861-06

    73. Ncgc00015861-07

    74. Ncgc00015861-08

    75. Ncgc00015861-09

    76. Ncgc00094307-01

    77. Ncgc00094307-02

    78. Ncgc00094307-03

    79. Ncgc00178023-01

    80. Ncgc00261700-01

    81. Smr000486263

    82. Sbi-0050988.p002

    83. 1-(5-oxohexyl)-3-methyl-7-propylxanthine

    84. Db-052700

    85. Hy-107203

    86. Cs-0027629

    87. Eu-0101015

    88. Ft-0630675

    89. D01630

    90. P 9689

    91. 242p552

    92. Q2888695

    93. Sr-01000075642-1

    94. Sr-01000075642-5

    95. Brd-k59273480-001-01-5

    2.4 Create Date
    2005-03-25
    3 Chemical and Physical Properties
    Molecular Weight 306.36 g/mol
    Molecular Formula C15H22N4O3
    XLogP30.7
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count7
    Exact Mass306.16919058 g/mol
    Monoisotopic Mass306.16919058 g/mol
    Topological Polar Surface Area75.5 Ų
    Heavy Atom Count22
    Formal Charge0
    Complexity454
    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 alzheimer's disease.

    5 Pharmacology and Biochemistry
    5.1 MeSH Pharmacological Classification

    Neuroprotective Agents

    Drugs intended to prevent damage to the brain or spinal cord from ischemia, stroke, convulsions, or trauma. Some must be administered before the event, but others may be effective for some time after. They act by a variety of mechanisms, but often directly or indirectly minimize the damage produced by endogenous excitatory amino acids. (See all compounds classified as Neuroprotective Agents.)

    5.2 ATC Code

    N - Nervous system

    N06 - Psychoanaleptics

    N06B - Psychostimulants, agents used for adhd and nootropics

    N06BC - Xanthine derivatives

    N06BC02 - Propentofylline

    5.3 Mechanism of Action

    Propentofylline is a xanthine derivative and phosphodiesterase inhibitor with purported neuroprotective effects. It inhibits both phosphodiesterase and adenosine uptake. Phosphodiesterase has shown to associated with age-related memory impairment and Alzheimer's disease. -Amyloid protein 142 (42) can induce apoptosis in the cultured hippocampal neurons, suggesting that it plays an important role in causing neurodegeneration in Alzheimer's disease. Propentofylline is also capable of activating a cAMPPKA system, depressing the caspase cascade and modifying Bcl-2 family proteins. Propentofylline blocked both the apoptotic features induced by 42 and further induced an anti-apoptotic protein, Bcl-2. It suggests that the protection of propentofylline on the 42-induced neurotoxicity is caused by enhancing anti-apoptotic action through cAMPPKA system.