(1S,4aS,10aR)-1,4a-dimethyl-6-[[4-(trifluoromethoxy)phenyl]methoxy]-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid | 1080503-29-2

• 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: (1S,4aS,10aR)-1,4a-dimethyl-6-[[4-(trifluoromethoxy)phenyl]methoxy]-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
• CAS: 1080503-29-2
• 化学式: C₂₅H₂₇F₃O₄
• 分子量: 448.482
• InChiKey: ZMWUWUBFLNGLHD-JRFVFWCSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  methoxymethyl (1S,4aS,10aR)-1,4a-dimethyl-6-[[4-(trifluoromethoxy)phenyl]methoxy]-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate 在 盐酸 作用下， 以 四氢呋喃 、 水 为溶剂， 生成 (1S,4aS,10aR)-1,4a-dimethyl-6-[[4-(trifluoromethoxy)phenyl]methoxy]-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
  参考文献：
  名称：

  Design, synthesis and characterization of podocarpate derivatives as openers of BK channels

  摘要：

  We found that the podocarpic acid structure provides a new scaffold for chemical modulators of large-conductance calcium-activated K+ channels (BK channels). Structure-activity analysis indicates the importance of both the arrangement (i. e., location and orientation) of the carboxylic acid functionality of ring A and the hydrophobic region of ring C for expression of BK channel-opening activity. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.08.081

文献信息

• Design, synthesis and characterization of podocarpate derivatives as openers of BK channels
  作者：Yong-Mei Cui、Eriko Yasutomi、Yuko Otani、Takashi Yoshinaga、Katsutoshi Ido、Kohei Sawada、Tomohiko Ohwada

  DOI：10.1016/j.bmcl.2008.08.081

  日期：2008.10

  We found that the podocarpic acid structure provides a new scaffold for chemical modulators of large-conductance calcium-activated K+ channels (BK channels). Structure-activity analysis indicates the importance of both the arrangement (i. e., location and orientation) of the carboxylic acid functionality of ring A and the hydrophobic region of ring C for expression of BK channel-opening activity. (C) 2008 Elsevier Ltd. All rights reserved.