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    Isobutylmethylxanthine

    ACTIVE PHARMA INGREDIENTS

    DIGITAL CONTENT

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Ibmx, 28822-58-4, Isobutylmethylxanthine, 1-methyl-3-isobutylxanthine, Methylisobutylxanthine, 3-isobutyl-1-methylxanthine (ibmx)
    Molecular Formula
    C10H14N4O2
    Molecular Weight
    222.24  g/mol
    InChI Key
    APIXJSLKIYYUKG-UHFFFAOYSA-N
    FDA UNII
    TBT296U68M
    A potent cyclic nucleotide phosphodiesterase inhibitor; due to this action, the compound increases cyclic AMP and cyclic GMP in tissue and thereby activates CYCLIC NUCLEOTIDE-REGULATED PROTEIN KINASES
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione
    2.1.2 InChI
    InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
    2.1.3 InChI Key
    APIXJSLKIYYUKG-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)CN1C2=C(C(=O)N(C1=O)C)NC=N2
    2.2 Other Identifiers
    2.2.1 UNII
    TBT296U68M
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1 Methyl 3 Isobutylxanthine

    2. 1-methyl-3-isobutylxanthine

    3. 3 Isobutyl 1 Methylxanthine

    4. Ibmx

    5. Isobutyltheophylline

    2.3.2 Depositor-Supplied Synonyms

    1. Ibmx

    2. 28822-58-4

    3. Isobutylmethylxanthine

    4. 1-methyl-3-isobutylxanthine

    5. Methylisobutylxanthine

    6. 3-isobutyl-1-methylxanthine (ibmx)

    7. 1h-purine-2,6-dione, 3,7-dihydro-1-methyl-3-(2-methylpropyl)-

    8. Xanthine, 3-isobutyl-1-methyl-

    9. 3-isobutyl-1-methyl-1h-purine-2,6(3h,7h)-dione

    10. 3-isobutyl-1-methyxanthine

    11. 1-methyl-3-(2-methylpropyl)-7h-purine-2,6-dione

    12. 3-isobutyl-1-methyl-3,9-dihydro-1h-purine-2,6-dione

    13. 3-isobutyl-1-methyl-7h-xanthine

    14. 3,7-dihydro-3-isobutyl-1-methyl-1h-purine-2,6-dione

    15. Nsc 165960

    16. Chebi:34795

    17. C10h14n4o2

    18. 3-isobutyl-1-methyl-3,7-dihydro-1h-purine-2,6-dione

    19. 2-acetoxy-benzoic Acid

    20. 3-isobutyl-methylxanthine

    21. Nsc165960

    22. 1-methyl-3-(2-methylpropyl)-3,7-dihydro-1h-purine-2,6-dione

    23. 3-isobutyl-1-methyl-xanthine

    24. Chembl275084

    25. Tbt296u68m

    26. Nsc-165960

    27. Sc 2964

    28. 1-methyl-3-(2-methylpropyl)-3,9-dihydro-1h-purine-2,6-dione

    29. 3,7-dihydro-1-methyl-3-(2-methylpropyl)-1h-purine-2,6-dione

    30. Methyl-isobutylxanthine

    31. 3-isobutyl 1-methylxanthine

    32. Smr000326697

    33. Ccris 4290

    34. Sr-01000075185

    35. Einecs 249-259-3

    36. Mfcd00005584

    37. Unii-tbt296u68m

    38. 1zkl

    39. 1zkn

    40. 3ecn

    41. 3itu

    42. 3jwr

    43. 2hd1

    44. 2r8q

    45. 3qi4

    46. Spectrum2_001705

    47. Spectrum2_001735

    48. Spectrum3_001958

    49. Spectrum4_001052

    50. Spectrum5_001856

    51. Lopac-i-5879

    52. Molmap_000030

    53. 3-isobutyl-1-methylanxthine

    54. Lopac0_000642

    55. Oprea1_135287

    56. Oprea1_228781

    57. Schembl50315

    58. 3-isobutyl-1-methylxantliine

    59. Bspbio_001153

    60. Bspbio_003558

    61. Gtpl388

    62. Kbiogr_000493

    63. Kbiogr_001344

    64. Kbiogr_002566

    65. Kbioss_000493

    66. Kbioss_002575

    67. 1-methyl-3-isobutyl-xanthine

    68. Mls001056732

    69. Mls001066424

    70. Divk1c_000922

    71. Spectrum1505298

    72. Spectrum2300204

    73. Spbio_001690

    74. Spbio_001810

    75. Dtxsid0040549

    76. Bcbcmap01_000110

    77. Bdbm15336

    78. Chebi:43253

    79. Hms502o04

    80. Kbio1_000922

    81. Kbio2_000493

    82. Kbio2_002566

    83. Kbio2_003061

    84. Kbio2_005134

    85. Kbio2_005629

    86. Kbio2_007702

    87. Kbio3_000905

    88. Kbio3_000906

    89. Kbio3_002878

    90. Kbio3_003044

    91. 3-isobutyl-1-methyl-9h-xanthine

    92. Cmap_000087

    93. Ninds_000922

    94. 1-methyl-3-(2-methylpropyl)-1,3,7-trihydropurine-2,6-dione

    95. Bio1_000456

    96. Bio1_000945

    97. Bio1_001434

    98. Bio2_000407

    99. Bio2_000887

    100. Hms1362i15

    101. Hms1792i15

    102. Hms1990i15

    103. Hms2090j10

    104. Hms2231c11

    105. Hms3262a05

    106. Hms3369e16

    107. Hms3403i15

    108. Hms3604d14

    109. Hms3648o18

    110. Albb-024315

    111. Bcp13248

    112. Zinc3861807

    113. Tox21_500642

    114. 3-isobuthyl-1-methylxanthine

    115. Bdbm50027176

    116. Ccg-39513

    117. Ccg-39624

    118. Hsci1_000261

    119. Pdsp1_000324

    120. Pdsp2_000322

    121. S5836

    122. Stl558248

    123. Akos003390599

    124. Akos015903085

    125. Cs-3361

    126. Db07954

    127. Lp00642

    128. Sc-2964

    129. Sdccgsbi-0050622.p003

    130. Idi1_000922

    131. Idi1_002162

    132. Ncgc00015559-01

    133. Ncgc00015559-02

    134. Ncgc00015559-03

    135. Ncgc00015559-04

    136. Ncgc00015559-05

    137. Ncgc00015559-06

    138. Ncgc00015559-07

    139. Ncgc00015559-08

    140. Ncgc00015559-09

    141. Ncgc00015559-10

    142. Ncgc00015559-11

    143. Ncgc00015559-21

    144. Ncgc00094009-01

    145. Ncgc00094009-02

    146. Ncgc00094009-03

    147. Ncgc00094009-04

    148. Ncgc00094009-05

    149. Ncgc00094009-06

    150. Ncgc00261327-01

    151. Xanthine, 1-methyl-3-(2-methylpropyl)

    152. As-71134

    153. Bi164529

    154. Hy-12318

    155. Ibmx(nsc165960; Sc2964)

    156. 3-isobutyl-1-methyl-7h-purine-2,6-dione

    157. Db-047466

    158. [eur J Pharmacol 170: 35 (1989)]

    159. B7206

    160. Eu-0100642

    161. Ft-0615920

    162. Wln: T56 Bm Dn Fnvnvj F1y1&1 H1

    163. D71221

    164. I 5879

    165. 3-isobutyl-1-methylxanthine, Bioultra, >=99%

    166. 822i584

    167. A876607

    168. L001156

    169. Q223093

    170. 3-isobutyl-1-methylxanthine - Cas 28822-58-4

    171. J-640140

    172. J-800144

    173. Sr-01000075185-1

    174. Sr-01000075185-6

    175. 3-isobutyl-1-methylxanthine, >=99% (hplc), Powder

    176. Brd-k94979336-001-06-9

    177. Brd-k94979336-001-09-3

    178. 1h-purine-2, 3,7-dihydro-1-methyl-3-(2-methylpropyl)-

    179. Imx;isobutylmethylxanthine;methylisobutylxanthine;nsc165960;sc2964

    180. 1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1h-purine-2,6-dione

    181. 1-methyl-3-(2-methylpropyl)-2,3,6,9-tetrahydro-1h-purine-2,6-dione

    2.4 Create Date
    2005-03-25
    3 Chemical and Physical Properties
    Molecular Weight 222.24 g/mol
    Molecular Formula C10H14N4O2
    XLogP31.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass222.11167570 g/mol
    Monoisotopic Mass222.11167570 g/mol
    Topological Polar Surface Area69.3 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity318
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    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

    Phosphodiesterase Inhibitors

    Compounds which inhibit or antagonize the biosynthesis or actions of phosphodiesterases. (See all compounds classified as Phosphodiesterase Inhibitors.)