ethyl 5',6-dimethoxy-3'-oxospiro[1,2-dihydroindene-3,1'-2H-indene]-2'-carboxylate | 609337-93-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: ethyl 5',6-dimethoxy-3'-oxospiro[1,2-dihydroindene-3,1'-2H-indene]-2'-carboxylate
• CAS: 609337-93-1
• 化学式: C₂₂H₂₂O₅
• 分子量: 366.414
• InChiKey: MQQYYQKDLMEODV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl 5',6-dimethoxy-3'-oxospiro[1,2-dihydroindene-3,1'-2H-indene]-2'-carboxylate 以 水 、 二甲基亚砜 为溶剂， 反应 1.0h， 以100%的产率得到5,5'-dimethoxy-3-oxospirobi-1,1'-indane
  参考文献：
  名称：

  Discovery and Preclinical Characterization of (+)-3-[4-(1- Piperidinoethoxy)phenyl]spiro[indene- 1,1‘-indane]-5,5‘-diol Hydrochloride:  A Promising Nonsteroidal Estrogen Receptor Agonist for Hot Flush

  摘要：

  In our studies of the development of a novel class of selective estrogen receptor modulators, (+)-3-[4-(1-piperidinoethoxy)phenyl]spiro[indene-1,1'-indane]-5,5'-diol hydrochloride (1) was found to be an estrogen receptor ligand with beneficial effects in rat models for human hot flush. Moreover, 1 was found to have beneficial effects on lipid and bone metabolism while maintaining marginal effects on the uterus and breasts. These findings suggest that 1 would provide a new treatment for hot flush.

  DOI：

  10.1021/jm034134+
• 作为产物：
  描述：

  5-methoxy-2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)benzoyl chloride 在 Rh2(μ-acetate)4(H2O) 、 4-乙酰氨基苯磺酰叠氮 、 双(三甲基硅烷基)氨基钾 、 三乙胺 作用下， 以 四氢呋喃 、 甲苯 、 乙腈 为溶剂， 反应 4.5h， 生成 ethyl 5',6-dimethoxy-3'-oxospiro[1,2-dihydroindene-3,1'-2H-indene]-2'-carboxylate
  参考文献：
  名称：

  Discovery and Preclinical Characterization of (+)-3-[4-(1- Piperidinoethoxy)phenyl]spiro[indene- 1,1‘-indane]-5,5‘-diol Hydrochloride:  A Promising Nonsteroidal Estrogen Receptor Agonist for Hot Flush

  摘要：

  In our studies of the development of a novel class of selective estrogen receptor modulators, (+)-3-[4-(1-piperidinoethoxy)phenyl]spiro[indene-1,1'-indane]-5,5'-diol hydrochloride (1) was found to be an estrogen receptor ligand with beneficial effects in rat models for human hot flush. Moreover, 1 was found to have beneficial effects on lipid and bone metabolism while maintaining marginal effects on the uterus and breasts. These findings suggest that 1 would provide a new treatment for hot flush.

  DOI：

  10.1021/jm034134+

文献信息

• Discovery and Preclinical Characterization of (+)-3-[4-(1- Piperidinoethoxy)phenyl]spiro[indene- 1,1‘-indane]-5,5‘-diol Hydrochloride:  A Promising Nonsteroidal Estrogen Receptor Agonist for Hot Flush
  作者：Nobuhide Watanabe、Akihisa Ikeno、Hisao Minato、Hiroshi Nakagawa、Chie Kohayakawa、Jun-ichi Tsuji

  DOI：10.1021/jm034134+

  日期：2003.9.1

  In our studies of the development of a novel class of selective estrogen receptor modulators, (+)-3-[4-(1-piperidinoethoxy)phenyl]spiro[indene-1,1'-indane]-5,5'-diol hydrochloride (1) was found to be an estrogen receptor ligand with beneficial effects in rat models for human hot flush. Moreover, 1 was found to have beneficial effects on lipid and bone metabolism while maintaining marginal effects on the uterus and breasts. These findings suggest that 1 would provide a new treatment for hot flush.