5,5'-dihydroxy-1-propyl-3-methyl-1,1',3,3'-tetrahydro-2,2'-spirobi(2H-indene) | 436802-31-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: 5,5'-dihydroxy-1-propyl-3-methyl-1,1',3,3'-tetrahydro-2,2'-spirobi(2H-indene)
• 英文别名: 3'-methyl-1'-propyl-2,2'-spirobi[1,3-dihydroindene]-5,5'-diol
• CAS: 436802-31-2
• 化学式: C₂₁H₂₄O₂
• 分子量: 308.42
• InChiKey: VFSSYIJFTLJYGA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 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：

  5,5'-dihydroxy-1-propylidene-3-methyl-1,1',3,3'-tetrahydro-2,2'-spirobi(2H-indene) 在 钯 silica gel 、 ethyl acetate heptane 作用下， 以 乙醇 为溶剂， 25.0 ℃ 、13.51 MPa 条件下， 反应 30.0h， 以to yield 5,5′-dihydroxy-1-propyl-3-methyl-1,1′,3,3′-tetrahydro-2,2′-spirobi(2H-indene)的产率得到5,5'-dihydroxy-1-propyl-3-methyl-1,1',3,3'-tetrahydro-2,2'-spirobi(2H-indene)
  参考文献：
  名称：

  Novel estrogen receptor ligands and method III

  摘要：

  本发明涉及公式（I）化合物及其衍生物，其中变量如权利要求所定义，它们的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疾病，包括骨质疏松，骨折，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升高，心血管疾病，认知功能障碍，脑部退化性疾病，再狭窄，男性乳腺发育，自身免疫疾病，血管平滑肌细胞增殖，肥胖，失禁以及肺癌，结肠癌，乳腺癌，子宫癌和前列腺癌。

  公开号：

  US20040082642A1

文献信息

• NOVEL ESTROGEN RECEPTOR LIGANDS AND METHODS III
  申请人：KARO BIO AB

  公开号：EP1339662A1

  公开（公告）日：2003-09-03
• [EN] NOVEL ESTROGEN RECEPTOR LIGANDS AND METHODS III<br/>[FR] LIGANDS DE RECEPTEUR D'OESTROGENE ET PROCEDES III
  申请人：KAROBIO AB

  公开号：WO2002046134A1

  公开（公告）日：2002-06-13

  The present invention relates to compounds of formula (I) and derivatives thereof, in which the variables are as defined in the claims, 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, restinosis, gynecomastia, autoimmune disease, vascular smooth muscle cell profileration, obesity, incontinence, and cancer of the lung, colon, breast, uterus, and prostate.
• Novel estrogen receptor ligands and method III
  申请人：——

  公开号：US20040082642A1

  公开（公告）日：2004-04-29

  The present invention relates to compounds of formula (I) and derivatives thereof, in which the variables are as defined in the claims, 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, restinosis, gynecomastia, autoimmune disease, vascular smooth muscle cell profileration, obesity, incontinence, and cancer of the lung, colon, breast, uterus, and prostate.

  本发明涉及式(I)的化合物及其衍生物，其中变量如权利要求中定义的那样，它们的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，因此可能用于治疗或预防与雌激素功能相关的各种疾病，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升高、心血管疾病、认知功能障碍、脑退行性疾病、再狭窄、男性乳房发育、自身免疫疾病、血管平滑肌细胞增殖、肥胖、尿失禁，以及肺部、结肠、乳腺、子宫和前列腺癌。