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    Technical details about 2-Methoxyestradiol, learn more about the structure, uses, toxicity, action, side effects and more

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    2 Methoxyestradiol

    APIs // Active Pharmaceutical Ingredients

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    DIGITAL CONTENT

    PharmaCompass

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    2D Structure
    Also known as: 362-07-2, Panzem, 2-methoxyestradiol-17beta, 2-hydroxyestradol 2-methyl ether, 2-me2, 2me2
    Molecular Formula
    C19H26O3
    Molecular Weight
    302.4  g/mol
    InChI Key
    CQOQDQWUFQDJMK-SSTWWWIQSA-N
    FDA UNII
    6I2QW73SR5
    A metabolite of estradiol that lacks estrogenic activity and inhibits TUBULIN polymerization. It has antineoplastic properties, including inhibition of angiogenesis and induction of APOPTOSIS.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (8R,9S,13S,14S,17S)-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
    2.1.2 InChI
    InChI=1S/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1
    2.1.3 InChI Key
    CQOQDQWUFQDJMK-SSTWWWIQSA-N
    2.1.4 Canonical SMILES
    CC12CCC3C(C1CCC2O)CCC4=CC(=C(C=C34)OC)O
    2.1.5 Isomeric SMILES
    C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=C(C=C34)OC)O
    2.2 Other Identifiers
    2.2.1 UNII
    6I2QW73SR5
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. (17 Beta)-2-methoxyestra-1,3,5(10)-triene-3,17-diol

    2. 2 Methoxyestradiol

    3. 2 Methoxyestradiol 17 Beta

    4. 2 Methoxyoestradiol

    5. 2-(methyl-11c)methoxyestradiol

    6. 2-methoxyestradiol, (17alpha)-isomer

    7. 2-methoxyestradiol-17 Beta

    8. 2-methoxyoestradiol

    9. Panzem

    2.3.2 Depositor-Supplied Synonyms

    1. 362-07-2

    2. Panzem

    3. 2-methoxyestradiol-17beta

    4. 2-hydroxyestradol 2-methyl Ether

    5. 2-me2

    6. 2me2

    7. 2-meoe2

    8. Estradiol, 2-methoxy-

    9. 2-methoxyestradiol (2-meoe2)

    10. 2-methoxyoestradiol

    11. 2-hydroxyestradiol 2-methyl Ether

    12. 2-methoxy-17beta-estradiol

    13. Nsc-659853

    14. (17beta)-2-methoxyestra-1,3,5(10)-triene-3,17-diol

    15. 2-methoxyestra-1,3,5(10)-triene-3,17beta-diol

    16. 2-methoxy-estradiol

    17. 2-methoxy-beta-estradiol

    18. Mls000028819

    19. 6i2qw73sr5

    20. Chembl299613

    21. Chebi:28955

    22. Estra-1,3,5(10)-triene-3,17-diol, 2-methoxy-, (17beta)-

    23. Panzem Ncd

    24. 1,3,5(10)-estratrien-2,3,17-beta-triol 2-methyl Ether

    25. 2-methoxy-estra-1,3,5(10)-triene-3,17beta-diol

    26. Estra-1,3,5(10)-triene-3,17beta-diol, 2-methoxy-

    27. (8r,9s,13s,14s,17s)-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

    28. (8r,9s,13s,14s,17s)-2-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6h-cyclopenta[a]phenanthrene-3,17-diol

    29. Smr000058478

    30. Estra-1,3,5(10)-triene-3,17-diol, 2-methoxy-, (17b)-

    31. (17beta)-2-methoxyestra-1(10),2,4-triene-3,17-diol

    32. Pulmolar

    33. 2-methoxy-.beta.-estradiol

    34. Nsc 659853

    35. Unii-6i2qw73sr5

    36. Ccris 9405

    37. 1lhw

    38. Mfcd00010489

    39. Opera_id_634

    40. 2-methoxyestradiol Powder

    41. 2-methoxyestradiol, Powder

    42. 2-methoxy 17?-estradiol

    43. M 6383

    44. Schembl8796

    45. 2-meo-e2

    46. Lopac0_000739

    47. Mls001076279

    48. Mls006010142

    49. Dtxsid3040938

    50. Gtpl12058

    51. Hms2230l22

    52. Hms3262c20

    53. Hms3412h22

    54. Hms3676h22

    55. Bcp02076

    56. Zinc3818826

    57. 2-methoxyestradiol [who-dd]

    58. 2-methoxyoestradiol [mart.]

    59. Tox21_500739

    60. Bdbm50060957

    61. Lmst02010035

    62. S1233

    63. Akos015901723

    64. 2-methoxyestradiol, Analytical Standard

    65. Bcp9000109

    66. Ccg-204824

    67. Cs-0176

    68. Db02342

    69. Lp00739

    70. Sdccgsbi-0050717.p002

    71. Smp2_000045

    72. Ncgc00094082-03

    73. Ncgc00094082-04

    74. Ncgc00094082-13

    75. Ncgc00261424-01

    76. Ac-32086

    77. As-19175

    78. Bp-25393

    79. Hy-12033

    80. Eu-0100739

    81. M2530

    82. C05302

    83. C74863

    84. Ab00639611-09

    85. Ab00639611_10

    86. Sr-01000076000

    87. 2-methoxy-1,3,5 (10)-estratriene-3,17beta-diol

    88. 2-methoxyestra-1,3,5(10)-triene-3,17-diol #

    89. Q4596897

    90. Sr-01000076000-1

    91. Brd-k44408410-001-20-0

    92. (17?)-2-methoxyestra-1(10),2,4-triene-3,17-diol

    93. (17?)-2-methoxyestra-1,3,5(10)-triene-3,17-diol

    94. 17beta-2-methoxyestra-1,3,5(10)-triene-3,17-diol

    95. Estra-1,3,5(10)-triene-3,17.beta.-diol, 2-methoxy-

    96. Estra-1(10),2,4-triene-3,17-diol, 2-methoxy-, (17beta)-

    97. (14beta,17beta)-2-methoxyestra-1(10),2,4-triene-3,17-diol

    98. (17.beta.)-2-methoxyestra-1,3,5(10)-triene-3,17-diol

    99. B3c40b85-1733-48fe-8418-a39011910d19

    100. Estra-1,3,5(10)-triene-3,17-diol, 2-methoxy-, (17.beta.)-

    2.4 Create Date
    2005-06-08
    3 Chemical and Physical Properties
    Molecular Weight 302.4 g/mol
    Molecular Formula C19H26O3
    XLogP34
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass302.18819469 g/mol
    Monoisotopic Mass302.18819469 g/mol
    Topological Polar Surface Area49.7 Ų
    Heavy Atom Count22
    Formal Charge0
    Complexity425
    Isotope Atom Count0
    Defined Atom Stereocenter Count5
    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

    For the treatment of breast cancer and inflammatory diseases such as rheumatoid arthritis.

    5 Pharmacology and Biochemistry
    5.1 Pharmacology

    2-Methoxyestradiol belongs to the family of drugs called angiogenesis inhibitors. It also acts as a vasodilator.

    5.2 MeSH Pharmacological Classification

    Tubulin Modulators

    Agents that interact with TUBULIN to inhibit or promote polymerization of MICROTUBULES. (See all compounds classified as Tubulin Modulators.)

    Antineoplastic Agents

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

    5.3 Metabolism/Metabolites

    In vivo metabolism, assessed using 24-h collections of urine from cancer patients treated with 2ME2 revealed that <0.01% of the total administered dose of 2ME2 is excreted unchanged in urine and about 1% excreted as glucuronides. Collectively, this suggests that glucuronidation and subsequent urinary excretion are elimination pathways for 2ME2.

    2-O-methoxyestradiol has known human metabolites that include 2-Methoxy-estradiol-17beta 3-glucuronide.

    2-O-methoxyestradiol is a known human metabolite of 2-hydroxyestradiol.

    S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560

    5.4 Mechanism of Action

    2-Methoxyestradiol is an angiogenesis inhibitor, and has been shown to attack both tumor cells and their blood supply in preclinical testing. 2-methoxyestradiol is a naturally occurring estrogen metabolite but has no undesired estrogenic activity.

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