ent-17-methylthio-16α,β-atisane-19-oic acid | 474642-90-5

• 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: ent-17-methylthio-16α,β-atisane-19-oic acid
• 英文别名: (1R,4S,5R,9S,10R,12S)-5,9-dimethyl-13-(methylsulfanylmethyl)tetracyclo[10.2.2.01,10.04,9]hexadecane-5-carboxylic acid
• CAS: 474642-90-5
• 化学式: C₂₁H₃₄O₂S
• 分子量: 350.566
• InChiKey: DZSNWRAFUPWLQG-NTGABJJDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  62.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  ent-17-methylthio-16α,β-atisane-19-oic acid 在 2-(Phenylsulfonyl)-3-phenyloxaziridin 作用下， 以 氯仿 为溶剂， 反应 2.0h， 以84%的产率得到ent-17-methylsulfinyl-16α,β-atisane-19-oic acid
  参考文献：
  名称：

  Synthesis and neuroprotective effects of serofendic acid analogues

  摘要：

  Analogues of serofendic acid were prepared and their protective effects against L-glutamate (Glu)-induced neurotoxicity were examined using primary cultures of rat cortical neurons. Some analogues exhibited similar neuroprotective activity to that of serofendic acid.

  DOI：

  10.1016/j.bmcl.2006.07.038
• 作为产物：
  描述：

  methyl (5β,8α,9β,10α,12α)-atis-16-en-18-oate 在 硼烷四氢呋喃络合物 、 TEA 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 19.0h， 生成 ent-17-methylthio-16α,β-atisane-19-oic acid
  参考文献：
  名称：

  Synthesis and neuroprotective effects of serofendic acid analogues

  摘要：

  Analogues of serofendic acid were prepared and their protective effects against L-glutamate (Glu)-induced neurotoxicity were examined using primary cultures of rat cortical neurons. Some analogues exhibited similar neuroprotective activity to that of serofendic acid.

  DOI：

  10.1016/j.bmcl.2006.07.038

文献信息

• EP1382591
  申请人：——

  公开号：——

  公开（公告）日：——
• US7211589B2
  申请人：——

  公开号：US7211589B2

  公开（公告）日：2007-05-01
• Synthesis and neuroprotective effects of serofendic acid analogues
  作者：Taro Terauchi、Takashi Doko、Masahiro Yonaga、Akiharu Kajiwara、Tetsuhiro Niidome、Ryota Taguchi、Toshiaki Kume、Akinori Akaike、Hachiro Sugimoto

  DOI：10.1016/j.bmcl.2006.07.038

  日期：2006.10

  Analogues of serofendic acid were prepared and their protective effects against L-glutamate (Glu)-induced neurotoxicity were examined using primary cultures of rat cortical neurons. Some analogues exhibited similar neuroprotective activity to that of serofendic acid.