| 1245784-55-7

• 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: 1245784-55-7
• 化学式: C₃₈H₄₇N₃O₃
• 分子量: 593.809
• InChiKey: CBJAMCOAVIDLRH-UOFBVDQMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.95
• 重原子数：
  44.0
• 可旋转键数：
  7.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  84.29
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  在 三甲基氯硅烷 、 sodium thiosulfate 、 sodium iodide 、 sodium hydroxide 作用下， 以 水 、 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and evaluation of in vitro anticancer activity of novel solasodine derivatives

  摘要：

  Solasodine 11 is a steroidal alkaloid with various biological activities. Herein, 8 novel solasodine derivatives were synthesized and their effect on prostate cancer cell proliferation was assessed in vitro. Significant improvement in antiproliferative activity was achieved among some of the synthetic analogs. In particular, 19 exhibited the most potent inhibitory effect against the proliferation of PC-3 cell line (IC(50) = 3.91 mu mol/L). (C) 2010 Jun O. Liu. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2010.04.020
• 作为产物：
  描述：

  (3b,25R)-3-hydroxyfurosta-5,20(22)-dien-26-yl 4-Methylbenzenesulfonate 在 吡啶 、 sodium azide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and evaluation of in vitro anticancer activity of novel solasodine derivatives

  摘要：

  Solasodine 11 is a steroidal alkaloid with various biological activities. Herein, 8 novel solasodine derivatives were synthesized and their effect on prostate cancer cell proliferation was assessed in vitro. Significant improvement in antiproliferative activity was achieved among some of the synthetic analogs. In particular, 19 exhibited the most potent inhibitory effect against the proliferation of PC-3 cell line (IC(50) = 3.91 mu mol/L). (C) 2010 Jun O. Liu. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2010.04.020