(1R,3R,5R)-1,3-dihydroxycyclohexane-1,5-carbolactone | 232952-12-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酯类
• 英文名称: (1R,3R,5R)-1,3-dihydroxycyclohexane-1,5-carbolactone
• 英文别名: (1S,3S,5S)-1,3-dihydroxy-6-oxa-bicyclo[3.2.1]octan-7-one；(1S,3S,5S)-1,3-dihydroxy-6-oxabicyclo[3.2.1]octan-7-one
• CAS: 232952-12-4
• 化学式: C₇H₁₀O₄
• 分子量: 158.154
• InChiKey: USNXVXLWPQEJSU-VPLCAKHXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (1R,3R,5R)-1,3-dihydroxycyclohexane-1,5-carbolactone 在 sodium hydroxide 、 水 作用下， 反应 1.0h， 以99%的产率得到4-deoxyquinic acid
  参考文献：
  名称：

  Gonzalez-Bcllo, Concepcioen; Coggins, T John R.; Hawkins, Alastair R., Journal of the Chemical Society. Perkin transactions I, 1999, # 8, p. 849 - 854

  摘要：

  DOI：
• 作为产物：
  描述：

  在 4-二甲氨基吡啶 、 偶氮二异丁腈 、 四丁基氟化铵 、 三正丁基氢锡 、 溶剂黄146 作用下， 以 四氢呋喃 、 甲苯 、 乙腈 为溶剂， 反应 61.0h， 生成 (1R,3R,5R)-1,3-dihydroxycyclohexane-1,5-carbolactone
  参考文献：
  名称：

  Gonzalez-Bcllo, Concepcioen; Coggins, T John R.; Hawkins, Alastair R., Journal of the Chemical Society. Perkin transactions I, 1999, # 8, p. 849 - 854

  摘要：

  DOI：

文献信息

• 1-Desoxy-2-Methylene-19-Nor-Vitamin D Analogs and Their Uses
  申请人：DeLuca Hector F.

  公开号：US20110082121A1

  公开（公告）日：2011-04-07

  This invention discloses 1-desoxy-2-methylene-19-nor-vitamin D analogs, and specifically (20S)-25-hydroxy-1-desoxy-2-methylene-19-nor-vitamin D 3 and pharmaceutical uses therefor. This compound exhibits relatively high binding activity and pronounced activity in arresting the proliferation of undifferentiated cells and inducing their differentiation to the monocyte thus evidencing use as an anti-cancer agent especially for the treatment or prevention of leukemia, colon cancer, breast cancer, skin cancer or prostate cancer.

  这项发明揭示了1-去氧-2-亚甲基-19-去氧维生素D类似物，具体包括(20S)-25-羟基-1-去氧-2-亚甲基-19-去氧维生素D3及其药用。这种化合物表现出相对较高的结合活性，并在阻止未分化细胞的增殖并诱导它们分化为单核细胞方面具有显著活性，因此显示出作为抗癌剂的用途，特别是用于治疗或预防白血病、结肠癌、乳腺癌、皮肤癌或前列腺癌。
• 1-DESOXY-2-METHYLENE-19-NOR-VITAMIN D ANALOGS AND THEIR USES
  申请人：Wisconsin Alumni Research Foundation

  公开号：EP2483240B1

  公开（公告）日：2014-09-03
• 2-Methylene-19-Nor-Vitamin D Analogs and Their Uses
  申请人：DeLuca Hector F.

  公开号：US20120157418A1

  公开（公告）日：2012-06-21

  This invention discloses 2-methylene-19-nor-vitamin D analogs, and specifically (20S)-25-hydroxy-2-methylene-19-nor-vitamin D 3 and (20R)-25-hydroxy-2-methylene-19-nor-vitamin D 3 , as well as pharmaceutical uses therefor. These compounds exhibit relatively high binding activity and pronounced activity in arresting the proliferation of undifferentiated cells and inducing their differentiation to the monocyte thus evidencing use as an anti-cancer agent especially for the treatment or prevention of osteosarcoma, leukemia, colon cancer, breast cancer, skin cancer or prostate cancer. Although these compounds have relatively low calcemic activities they may also be useful in the treatment of bone diseases due to their ability to act as prodrugs in vivo.
• US8518917B2
  申请人：——

  公开号：US8518917B2

  公开（公告）日：2013-08-27
• US8642579B2
  申请人：——

  公开号：US8642579B2

  公开（公告）日：2014-02-04