estra-1,3,5(10)-triene-3,17β-diyl bis[N-(tert-butoxycarbonyl)-L-methioninate] | 1033082-81-3

• 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: estra-1,3,5(10)-triene-3,17β-diyl bis[N-(tert-butoxycarbonyl)-L-methioninate]
• CAS: 1033082-81-3
• 化学式: C₃₈H₅₈N₂O₈S₂
• 分子量: 735.019
• InChiKey: KHAXBFPZWLRMPB-XPBLDCIOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.65
• 重原子数：
  50.0
• 可旋转键数：
  12.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  129.26
• 氢给体数：
  2.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  estra-1,3,5(10)-triene-3,17β-diyl bis[N-(tert-butoxycarbonyl)-L-methioninate] 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以81%的产率得到estra-1,3,5(10)-triene-3,17β-diyl bis(L-methioninate)
  参考文献：
  名称：

  Platinum(II) complexes with steroidal esters of l-methionine and l-histidine: Synthesis, characterization and cytotoxic activity

  摘要：

  Twelve steroidal platinum(II) complexes were synthesized by reaction of potassium tetrachloroplatinate with steroidal esters of L-methionine and L-histidine. The steroidal esters coordinated as bidentate ligands via S and N donor atoms of L-methionine and via two N donor atoms of L-histidine. Cholesterol, cholestanol, diosgenine, pregnenolone, dehydroepiandrosterone, testosterone, estrone, and estradiol were used as the steroidal compounds. The esters and complexes prepared were characterized by infrared, mass, and H-1 NMR spectroscopy and elemental analysis. Platinum complexes were tested for in vitro cytotoxicity against several cancer cell lines: T-lymphoblastic leukemia CEM, breast carcinoma MCF-7, lung carcinoma A-549, multiple myeloma RPMI 8226, and one normal cell line human. broblast BJ. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.02.003
• 作为产物：
  描述：

  Boc-L-蛋氨酸 、 雌二醇 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 苯 为溶剂， 反应 12.0h， 以79%的产率得到estra-1,3,5(10)-triene-3,17β-diyl bis[N-(tert-butoxycarbonyl)-L-methioninate]
  参考文献：
  名称：

  Platinum(II) complexes with steroidal esters of l-methionine and l-histidine: Synthesis, characterization and cytotoxic activity

  摘要：

  Twelve steroidal platinum(II) complexes were synthesized by reaction of potassium tetrachloroplatinate with steroidal esters of L-methionine and L-histidine. The steroidal esters coordinated as bidentate ligands via S and N donor atoms of L-methionine and via two N donor atoms of L-histidine. Cholesterol, cholestanol, diosgenine, pregnenolone, dehydroepiandrosterone, testosterone, estrone, and estradiol were used as the steroidal compounds. The esters and complexes prepared were characterized by infrared, mass, and H-1 NMR spectroscopy and elemental analysis. Platinum complexes were tested for in vitro cytotoxicity against several cancer cell lines: T-lymphoblastic leukemia CEM, breast carcinoma MCF-7, lung carcinoma A-549, multiple myeloma RPMI 8226, and one normal cell line human. broblast BJ. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.02.003