| 552844-00-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• CAS: 552844-00-5
• 化学式: C₅₅H₇₈N₂O₆
• 分子量: 863.234
• InChiKey: BZQMAUFOFZEOCD-SRMBCTRNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.7
• 重原子数：
  63
• 可旋转键数：
  1
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  103
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  在 BH₃-acetaldehyde complex 作用下， 以 四氢呋喃 为溶剂， 反应 168.0h， 生成
  参考文献：
  名称：

  Chemo-, regio-, and stereoselectivity of F-ring opening reactions in the cephalostatin series

  摘要：

  In an effort to prepare unsymmetrical cephalostatin analogues with multi-functionality, we tried the route of selective opening of the spiroketal joining rings E and F. In this study, we have tested several borane complexes (like borane-9-BBN, borane-(N-tosyl)-D-valine, and borane-catechol) with some bis-steroidal pyrazine derivatives like 3, 4, and 16 aiming at opening ring-F at only one spiro-system of the dimer. Upon testing these borane reagents, satisfying results were obtained in the case of the ketomethylene 4 using the catechol-borane complex. The structures of the resulting mono-opened and also some double-opened spiro dimers have been completely confirmed. Some of the prepared compounds were tested against three cancer cell lines: HM02 (stomach cancer), HEP G2 (hepatocellular cancer), and MCF 7 (breast cancer). (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.09.043

文献信息

• Chemo-, regio-, and stereoselectivity of F-ring opening reactions in the cephalostatin series
  作者：M. Nawasreh

  DOI：10.1016/j.bmc.2007.09.043

  日期：2008.1

  In an effort to prepare unsymmetrical cephalostatin analogues with multi-functionality, we tried the route of selective opening of the spiroketal joining rings E and F. In this study, we have tested several borane complexes (like borane-9-BBN, borane-(N-tosyl)-D-valine, and borane-catechol) with some bis-steroidal pyrazine derivatives like 3, 4, and 16 aiming at opening ring-F at only one spiro-system of the dimer. Upon testing these borane reagents, satisfying results were obtained in the case of the ketomethylene 4 using the catechol-borane complex. The structures of the resulting mono-opened and also some double-opened spiro dimers have been completely confirmed. Some of the prepared compounds were tested against three cancer cell lines: HM02 (stomach cancer), HEP G2 (hepatocellular cancer), and MCF 7 (breast cancer). (c) 2007 Elsevier Ltd. All rights reserved.