3β-benzoyloxy-5,6α-dibromo-5β-cholestane | 34048-78-7

• 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
• 英文名称: 3β-benzoyloxy-5,6α-dibromo-5β-cholestane
• 英文别名: 3β-Benzoyloxy-5,6α-dibrom-5β-cholestan；Benzoesaeure-(5,6α-dibrom-5β-cholestanyl-(3β)-ester)；<5β.5α-Dibrom-cholestanyl-(3β)>-benzoat；5β,6α-Dibromcholestan-3β-ol-benzoat
• CAS: 34048-78-7
• 化学式: C₃₄H₅₀Br₂O₂
• 分子量: 650.578
• InChiKey: MHXHGAYPGDRAJU-YTJPTYRFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.22
• 重原子数：
  38.0
• 可旋转键数：
  7.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  3β-benzoyloxy-5,6α-dibromo-5β-cholestane 、 苯 生成 5α,6β-dibromocholestan-3β-yl benzoate
  参考文献：
  名称：

  Punctal and canalicular agenesis presented with congenital nasolacrimal duct obstruction

  摘要：

  DOI：

  10.1007/s00417-002-0565-9
• 作为产物：
  描述：

  cholesterol 在 二硫化碳 、 溴 作用下， 生成 3β-benzoyloxy-5,6α-dibromo-5β-cholestane
  参考文献：
  名称：

  硫修饰核苷、核苷酸和寡核苷酸的合成、化学修饰和生物应用的最新进展

  摘要：

  介绍 ....... 。………………………………………… …………………………………… …………………… …………………………………………………………………………………………………………………………………………………………………………………………………………………………………………………………………… .. .. .. .. .. .. 29 1. 杂环基的修改 ..................................... ...................................... 29 1. 含有核苷、核苷酸的硫代碱基 ..................... ………………………………………………………………………………………………………………………………………………………… ................. 29 2. 含寡核苷酸的硫基碱基、光化学探针和工具

  DOI：

  10.1080/00304940209355745

文献信息

• Preparation of Oxysterols by C–H Oxidation of Dibromocholestane with Ru(Bpga) Catalyst
  作者：Yui Fujii、Makoto Yoritate、Kana Makino、Kazunobu Igawa、Daiki Takeda、Daiki Doiuchi、Katsuhiko Tomooka、Tatsuya Uchida、Go Hirai

  DOI：10.3390/molecules27010225

  日期：——

  Seven mono- and dihydroxycholesterols were prepared by direct C–H oxidation of the cholestane skeleton with a recently developed Ru(Bpga) catalyst (Ru(Bpga) = [RuCl (bpga) (PPh3)] Cl; bpga = 2-(bis(pyridin-2-ylmethyl)amino)-N-(2,6-dimethylphenyl)acetamide)). Due to the high selectivity of the Ru(Bpga) complex for tertiary C–H, the reaction afforded a mixture of 25-, 20-, 17-, and 14-oxygenated cholesterols that could be easily separated by high-performance liquid chromatography. These results suggest that late-stage C–H oxidation could be a viable strategy for preparing candidate metabolites of biologically important molecules.

  七种单羟基和双羟基胆固醇通过最近开发的Ru(Bpga)催化剂（Ru(Bpga) = [RuCl(bpga)(PPh3)]Cl; bpga = 2-(双(吡啶-2-基)甲基)氨基-N-(2,6-二甲基苯基)乙酰胺）直接对胆甾烷骨架进行C-H氧化制备。由于Ru(Bpga)复合物对三级C-H的高选择性，该反应产生了一种可通过高效液相色谱法轻松分离的25-、20-、17-和14-氧化胆固醇混合物。这些结果表明，后期C-H氧化可能是制备生物重要分子候选代谢产物的一种可行策略。
• The value of knee arthroscopy in patients with severe radiological osteoarthritis
  作者：Michael Bohnsack、Wolfram Lipka、Oliver Rühmann、Gabriela Peters、Stefan Schmolke、Carl Wirth

  DOI：10.1007/s00402-002-0425-4

  日期：2002.11

  Background: This study was performed to assess the value of knee arthroscopy in patients with radiological signs of severe osteoarthritis. Methods: A total of 104 patients (50 men, 54 women, average age 60 years) with radiological knee osteoarthritis grade III/IV were followed up after knee arthroscopy between May 1989 and November 1996. The average follow-up time was 5.4 years after surgery. Results: A significant (p<0.01) increase in the Lysholm score was found, ranging from 40 points before arthroscopy to 69 points at the assessment. A total of 84 patients (81%) reported an increase in their activities of daily living, 44 patients (43%) were still without any complaints. The total outcome was rated very good or good by 67 patients (65%). Only 21 patients (20%) required further surgery before the assessment. Conclusions: Knee arthroscopy is a valuable treatment for patients with pain, swelling, and radiological signs of severe osteoarthritis. It improves the patients' activities of daily living and helps to postpone further surgery.
• 224. Steroids and related compounds. Part I. Isomeric cholestenediols
  作者：Vladimir A. Petrow

  DOI：10.1039/jr9370001077

  日期：——
• Maas,S.P.J. et al., Bulletin des Societes Chimiques Belges, 1963, vol. 72, p. 239 - 254
  作者：Maas,S.P.J. et al.

  DOI：——

  日期：——
• Barton et al., Journal of the Chemical Society, 1951, p. 2598,2601
  作者：Barton et al.

  DOI：——

  日期：——