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    CAS 19916-73-5

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 6-o-benzylguanine, 19916-73-5, O(6)-benzylguanine, 6-(benzyloxy)-7h-purin-2-amine, 2-amino-6-(benzyloxy)purine, 6-(benzyloxy)-9h-purin-2-amine
    Molecular Formula
    C12H11N5O
    Molecular Weight
    241.25  g/mol
    InChI Key
    KRWMERLEINMZFT-UHFFFAOYSA-N
    FDA UNII
    01KC87F8FE
    6-O-benzylguanine has been used in trials studying the treatment of HIV Infection, Adult Gliosarcoma, Adult Glioblastoma, Stage I Adult Hodgkin Lymphoma, and Stage II Adult Hodgkin Lymphoma, among others.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-phenylmethoxy-7H-purin-2-amine
    2.1.2 InChI
    InChI=1S/C12H11N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17)
    2.1.3 InChI Key
    KRWMERLEINMZFT-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C=C1)COC2=NC(=NC3=C2NC=N3)N
    2.2 Other Identifiers
    2.2.1 UNII
    01KC87F8FE
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 6-o-benzylguanine

    2. O(6)-benzylguanine

    3. O(6)-bgua

    2.3.2 Depositor-Supplied Synonyms

    1. 6-o-benzylguanine

    2. 19916-73-5

    3. O(6)-benzylguanine

    4. 6-(benzyloxy)-7h-purin-2-amine

    5. 2-amino-6-(benzyloxy)purine

    6. 6-(benzyloxy)-9h-purin-2-amine

    7. 2-amino-6-benzyloxypurine

    8. 6-benzyloxyguanine

    9. 2-amino-6-(phenylmethoxy)-9h-purine

    10. Krx-0402

    11. 1000874-21-4

    12. 6-phenylmethoxy-7h-purin-2-amine

    13. 1h-purin-2-amine, 6-(phenylmethoxy)-

    14. 6-benzylguanine

    15. Mfcd00269931

    16. Nsc-637037

    17. 9h-purin-2-amine, 6-(phenylmethoxy)-

    18. 01kc87f8fe

    19. Chembl407874

    20. 6-(benzyloxy)-1h-purin-2-amine

    21. Nsc637037

    22. O(6)-bgua

    23. 6-(benzyloxy)guanine

    24. 6-(phenylmethoxy)-1h-purin-2-amine

    25. O6-bg

    26. Smr000326791

    27. Purine, 2-amino-6-(benzyloxy)-

    28. 916b735

    29. Nsc 637037

    30. Unii-01kc87f8fe

    31. Ccris 9383

    32. 6-benzyloxy-7h-purin-2-amine

    33. O6 -benzylguanine

    34. Purine, 8ci)

    35. O6bg

    36. Lopac-b-2292

    37. O6-benzylguanine- Bio-x

    38. 6-benzyloxy-2-amino-purine

    39. Lopac0_000181

    40. Schembl61740

    41. Mls000859930

    42. Mls001074887

    43. Mls006010145

    44. 6-benzyloxy-9h-purin-2-amine

    45. Bdbm5491

    46. 2-amino-6-benzyloxy-9h-purine

    47. 0.4 Ch3oh

    48. Dtxsid20173700

    49. Glxc-25126

    50. Hms2234p23

    51. Hms3260f03

    52. Hms3369a16

    53. O6-benzylguanine [who-dd]

    54. Bcp08777

    55. O6-substituted Guanine Deriv. 31

    56. Zinc5425464

    57. 6-(benzyloxy)-7h-purin-2-ylamine

    58. Tox21_500181

    59. S3658

    60. Akos015919415

    61. Akos015963409

    62. Ac-1076

    63. Ccg-204276

    64. Cs-w002585

    65. Db11919

    66. Hy-w002585

    67. Ks-5281

    68. Lp00181

    69. Sb17232

    70. Sdccgsbi-0050169.p002

    71. Ncgc00015144-01

    72. Ncgc00015144-02

    73. Ncgc00015144-03

    74. Ncgc00015144-04

    75. Ncgc00015144-08

    76. Ncgc00093660-01

    77. Ncgc00093660-02

    78. Ncgc00260866-01

    79. Bb164163

    80. Nci60_012280

    81. Purine, 2-amino-6-(benzyloxy)- (, )

    82. Sy008080

    83. O6-benzylguanine, >=98% (tlc), Solid

    84. Am20060538

    85. Eu-0100181

    86. Ft-0650712

    87. B 2292

    88. Sr-01000075709

    89. Q7072275

    90. Sr-01000075709-1

    91. W-201741

    92. Obg

    2.4 Create Date
    2005-03-25
    3 Chemical and Physical Properties
    Molecular Weight 241.25 g/mol
    Molecular Formula C12H11N5O
    XLogP31.2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count3
    Exact Mass241.09635999 g/mol
    Monoisotopic Mass241.09635999 g/mol
    Topological Polar Surface Area89.7 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity271
    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

    Enzyme Inhibitors

    Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)

    Antineoplastic Agents

    Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)