(3aR,4S,7aS)-1-[(2S)-1-(4,4-dimethylpent-2-ynoxy)propan-2-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol | 1073115-78-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (3aR,4S,7aS)-1-[(2S)-1-(4,4-dimethylpent-2-ynoxy)propan-2-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol
• CAS: 1073115-78-2
• 化学式: C₂₀H₃₂O₂
• 分子量: 304.473
• InChiKey: QWXYXMHZQHXDFJ-HGKSCXNLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (3aR,4S,7aS)-1-[(2S)-1-(4,4-dimethylpent-2-ynoxy)propan-2-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol 在 四丙基高钌酸铵 、 N-甲基吗啉氧化物 作用下， 以 二氯甲烷 为溶剂， 反应 3.17h， 以50%的产率得到(3aR,7aS)-1-[(2S)-1-(4,4-dimethylpent-2-ynoxy)propan-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-one
  参考文献：
  名称：

  WO2008/131267

  摘要：

  公开号：
• 作为产物：
  描述：

  (2S)-2-[(3aR,4S,7aS)-7a-methyl-4-triethylsilyloxy-3,3a,4,5,6,7-hexahydroinden-1-yl]propan-1-ol 在 四丁基氟化铵 、 potassium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 0.75h， 生成 (3aR,4S,7aS)-1-[(2S)-1-(4,4-dimethylpent-2-ynoxy)propan-2-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol
  参考文献：
  名称：

  WO2008/131267

  摘要：

  公开号：

文献信息

• Low Calcemic, Highly Antiproliferative, Analogs of Calcitriol
  申请人：Posner Gary H.

  公开号：US20100137262A1

  公开（公告）日：2010-06-03

  The disclosure provides compounds, compositions and methods using these compounds and compositions to stimulate the differentiation of cells and inhibit excessive cell proliferation of certain cells, including cancer cells and skin cells, which may be useful in the treatment of diseases characterized by abnormal cell proliferation and/or cell differentiation such as leukemia, myelofibrosis and psoriasis without the well known effect on calcium metabolism, which gives rise to hypercalcemia.
• LOW CALCEMIC, HIGHLY ANTIPROLIFERATIVE, ANALOGS OF CALCITRIOL
  申请人：THE JOHNS HOPKINS UNIVERSITY

  公开号：US20170114013A1

  公开（公告）日：2017-04-27

  The disclosure provides compounds, compositions and methods using these compounds and compositions to stimulate the differentiation of cells and inhibit excessive cell proliferation of certain cells, including cancer cells and skin cells, which may be useful in the treatment of diseases characterized by abnormal cell proliferation and/or cell differentiation such as leukemia, myelofibrosis and psoriasis without the well known effect on calcium metabolism, which gives rise to hypercalcemia.
• US9481646B2
  申请人：——

  公开号：US9481646B2

  公开（公告）日：2016-11-01