3-(2,4-Dihydroxyphenyl)-7-hydroxy-4-methyl-chromen-2-one | 553681-50-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异黄酮类化合物
• 英文名称: 3-(2,4-Dihydroxyphenyl)-7-hydroxy-4-methyl-chromen-2-one
• 英文别名: 3-(2,4-dihydroxyphenyl)-7-hydroxy-4-methylchromen-2-one
• CAS: 553681-50-8
• 化学式: C₁₆H₁₂O₅
• 分子量: 284.26
• InChiKey: BWSOQDLTYBKLTM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  87
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  Acetic acid 3-(2,4-dimethoxyphenyl)-7-hydroxy4-methyl-2-oxo-2H-chromen-7-yl ester 、 、 吡啶盐酸盐 在 氮 、 水 、 乙酸乙酯 、 Brine 、 Sodium sulfate-III 作用下， 反应 1.0h， 生成 3-(2,4-Dihydroxyphenyl)-7-hydroxy-4-methyl-chromen-2-one
  参考文献：
  名称：

  Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators

  摘要：

  本发明涉及新型含杂原子的四环衍生物、包含它们的制药组合物、它们在治疗和/或预防由一个或多个雌激素受体介导的疾病中的应用以及它们的制备方法。本发明中的化合物在治疗和/或预防与雌激素耗竭有关的疾病中有用，例如潮热、阴道干燥、骨质疏松症和骨质疏松症；激素敏感性癌症和乳房、子宫内膜、宫颈和前列腺的增生；子宫内膜异位症、子宫肌瘤、骨关节炎以及作为避孕剂，单独或与孕激素或孕激素拮抗剂联合使用。

  公开号：

  US20040259915A1

文献信息

• [EN] TETRACYCLIC HETEROCOMPOUNDS AS ESTROGEN RECEPTOR MODULATORS<br/>[FR] HETERO-COMPOSES TETRACYCLIQUES UTILISABLES COMME MODULATEURS DU RECEPTEUR DES OESTROGENES
  申请人：ORTHO MCNEIL PHARM INC

  公开号：WO2003053977A1

  公开（公告）日：2003-07-03

  The present invention is directed to novel heteroatom containing tetracyclic derivatives, pharmaceutical compositions containing them, their use in the treatment and / or prevention of disorders mediated by one or more estrogen receptors and processes for their preparation. The compounds of the invention are useful in the treatment and / or prevention of disorders associated with the depletion of estrogen such as hot flashes, vaginal dryness, osteopenia and osteoporosis; hormone sensitive cancers and hyperplasia of the breast, endometrium, cervix and prostate; endometriosis, uterine fibroids, osteoarthritis and as contraceptive agents, alone or in combination with a progestogen or progestogen antagonist.

  本发明涉及新型含杂原子的四环衍生物、含有它们的药物组合物、它们在治疗和/或预防由一个或多个雌激素受体介导的疾病中的使用以及它们的制备过程。该发明的化合物在治疗和/或预防与雌激素缺乏有关的疾病方面具有用处，例如潮热、阴道干燥、骨质疏松症和骨质疏松症；激素敏感性癌症和乳腺、子宫内膜、子宫颈和前列腺的增生；子宫内膜异位症、子宫肌瘤、骨关节炎以及作为避孕药物，单独使用或与孕激素或孕激素拮抗剂组合使用。
• Heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators
  申请人：Janssen Pharmaceutica N.V.

  公开号：US07329654B2

  公开（公告）日：2008-02-12

  The present invention is directed to novel heteroatom containing tetracyclic derivatives, pharmaceutical compositions containing them, their use in the treatment and/or prevention of disorders mediated by one or more estrogen receptors and processes for their preparation. The compounds of the invention are useful in the treatment and/or prevention of disorders associated with the depletion of estrogen such as hot flashes, vaginal dryness, osteopenia and osteoporosis; hormone sensitive cancers and hyperplasia of the breast, endometrium, cervix and prostate; endometriosis, uterine fibroids, osteoarthritis and as contraceptive agents, alone or in combination with a progestogen or progestogen antagonist.

  本发明涉及新颖的含杂原子的四环衍生物，包含它们的制药组合物，以及它们在治疗和/或预防由一个或多个雌激素受体介导的疾病中的使用和制备过程。本发明的化合物在治疗和/或预防与雌激素耗竭相关的疾病方面具有用途，如潮热，阴道干燥，骨质疏松症；激素敏感性癌症和乳腺，子宫内膜，宫颈和前列腺的增生；子宫内膜异位症，子宫肌瘤，骨关节炎以及作为避孕剂，单独或与孕激素或孕激素拮抗剂联合使用。
• TETRACYCLIC HETEROCOMPOUNDS AS ESTROGEN RECEPTOR MODULATORS
  申请人：Ortho-McNeil Pharmaceutical, Inc.

  公开号：EP1467998A1

  公开（公告）日：2004-10-20
• NOVEL HETEROATOM CONTAINING TETRACYCLIC DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS
  申请人：Ortho-McNeil Pharmaceutical, Inc.

  公开号：EP1569939A1

  公开（公告）日：2005-09-07
• Diagnostic method for neurodegenerative diseases based on measurement of SIRT1 levels or activity
  申请人：The President and Fellows of Harvard College

  公开号：EP2362226B1

  公开（公告）日：2016-02-17