pyrazino<2,3-b;5,6-b'>bis<(25R)-5α-spirost-14-ene>-12,12'-dione | 180685-61-4

• 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
• 英文名称: pyrazino<2,3-b;5,6-b'>bis<(25R)-5α-spirost-14-ene>-12,12'-dione
• CAS: 180685-61-4
• 化学式: C₅₄H₇₂N₂O₆
• 分子量: 845.175
• InChiKey: VLVNEODRVVAPDO-DLLZIWFVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.9
• 重原子数：
  62
• 可旋转键数：
  0
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  96.8
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  pyrazino<2,3-b;5,6-b'>bis<(25R)-5α-spirost-14-ene>-12,12'-dione 在 sodium tetrahydroborate 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 以47%的产率得到12β-hydroxypyrazino<2,3-b;5,6-b'>bis<(25R)-5α-spirost-14-en-12'-one>
  参考文献：
  名称：

  Droegemueller, Michael; Jautelat, Rolf; Winterfeldt, Ekkerhard, Angewandte Chemie, 1996, vol. 108, # 13/14, p. 1669 - 1671

  摘要：

  DOI：
• 作为产物：
  描述：

  (1R,4S,5'S,6R,7S,8R,9R,12S,13S,18S)-15-bromo-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-2-ene-6,2'-oxane]-10,16-dione 在 palladium on activated charcoal sodium azide 、 氢气 、 溶剂黄146 、 sodium iodide 作用下， 以 甲醇 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 pyrazino<2,3-b;5,6-b'>bis<(25R)-5α-spirost-14-ene>-12,12'-dione
  参考文献：
  名称：

  Kramer, Andreas; Ullmann, Ulrike; Winterfeldt, Ekkehard, Journal of the Chemical Society. Perkin transactions I, 1993, # 23, p. 2865 - 2868

  摘要：

  DOI：

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.
• Droegemueller, Michael; Jautelat, Rolf; Winterfeldt, Ekkerhard, Angewandte Chemie, 1996, vol. 108, # 13/14, p. 1669 - 1671
  作者：Droegemueller, Michael、Jautelat, Rolf、Winterfeldt, Ekkerhard

  DOI：——

  日期：——
• Kramer, Andreas; Ullmann, Ulrike; Winterfeldt, Ekkehard, Journal of the Chemical Society. Perkin transactions I, 1993, # 23, p. 2865 - 2868
  作者：Kramer, Andreas、Ullmann, Ulrike、Winterfeldt, Ekkehard

  DOI：——

  日期：——