2-(4-hydroxyphenyl)-3-methyl-1,2''-spirobi[1H-indene]-5-ol

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚和异茚
• 英文名称: 2-(4-hydroxyphenyl)-3-methyl-1,2''-spirobi[1H-indene]-5-ol
• 英文别名: 2'-(4-hydroxyphenyl)-3'-methylspiro[1,3-dihydroindene-2,1'-indene]-5'-ol
• 化学式: C₂₄H₂₀O₂
• 分子量: 340.422
• InChiKey: HXXGIDLDLCJJDB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  26
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  茴茚二酮 在 palladium dihydroxide 三氯化铝 、 五氯化磷 、 氢气 、 三溴化硼 、 potassium carbonate 、 对甲苯磺酸 、 溶剂黄146 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 乙酸乙酯 、 N,N-二甲基甲酰胺 、 苯 为溶剂， 反应 32.0h， 生成 2-(4-hydroxyphenyl)-3-methyl-1,2''-spirobi[1H-indene]-5-ol
  参考文献：
  名称：

  2-Phenylspiroindenes: a novel class of selective estrogen receptor modulators (SERMs)

  摘要：

  A series of 2-phenylspiroindenes was prepared. The most active analogue (2) was found to be comparable in potency to raloxifene (1) as an estrogen receptor ligand. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00985-x

文献信息

• Estrogen receptor modulators
  申请人：——

  公开号：US20040162304A1

  公开（公告）日：2004-08-19

  The present invention relates to compounds and derivatives thereof, their synthesis, and their use as estrogen receptor modulators. The compounds of the instant invention are ligands for estrogen receptors and as such may be useful for treatment or prevention of a variety of conditions related to estrogen functioning including: bone loss, bone fractures, osteoporosis, cartilage degeneration, endometriosis, uterine fibroid disease, hot flashes, increased levels of LDL cholesterol, cardiovascular disease, impairment of cognitive functioning, cerebral degenerative disorders, restenosis, gynecomastia, vascular smooth muscle cell proliferation, obesity, incontinence, and cancer, in particular of the breast, uterus and prostate.

  本发明涉及化合物及其衍生物，其合成以及它们作为雌激素受体调节剂的用途。本发明的化合物是雌激素受体的配体，因此可能有助于治疗或预防与雌激素功能相关的各种情况，包括：骨质流失，骨折，骨质疏松症，软骨退化，子宫内膜异位症，子宫肌瘤病，潮热，低密度脂蛋白胆固醇水平增高，心血管疾病，认知功能障碍，脑退行性疾病，再狭窄，乳腺，子宫和前列腺癌，以及尿失禁和肥胖症。
• ESTROGEN RECEPTOR MODULATORS
  申请人：Merck & Co., Inc.

  公开号：EP1387821A2

  公开（公告）日：2004-02-11
• US6838584B2
  申请人：——

  公开号：US6838584B2

  公开（公告）日：2005-01-04
• [EN] ESTROGEN RECEPTOR MODULATORS<br/>[FR] MODULATEURS DES RECEPTEURS DES OESTROGENES
  申请人：MERCK & CO INC

  公开号：WO2002091993A2

  公开（公告）日：2002-11-21

  The present invention relates to compounds and derivatives thereof, their synthesis, and their use as estrogen receptor modulators. The compounds of the instant invention are ligands for estrogen receptors and as such may be useful for treatment or prevention of a variety of conditions related to estrogen functioning including: bone loss, bone fractures, osteoporosis, cartilage degeneration, endometriosis, uterine fibroid disease, hot flashes, increased levels of LDL cholesterol, cardiovascular disease, impairment of cognitive functioning, cerebral degenerative disorders, restenosis, gynecomastia, vascular smooth muscle cell proliferation, obesity, incontinence, and cancer, in particular of the breast, uterus and prostate.
• 2-Phenylspiroindenes: a novel class of selective estrogen receptor modulators (SERMs)
  作者：Timothy A Blizzard、Jerry D Morgan, II、Ralph T Mosley、Elizabeth T Birzin、Katalin Frisch、Susan P Rohrer、Milton L Hammond

  DOI：10.1016/s0960-894x(02)00985-x

  日期：2003.2

  A series of 2-phenylspiroindenes was prepared. The most active analogue (2) was found to be comparable in potency to raloxifene (1) as an estrogen receptor ligand. (C) 2002 Elsevier Science Ltd. All rights reserved.