decaborane

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 各种混合金属/非金属
• 英文名称: decaborane
• 英文别名: boranyl(boranylboranylboranylboranylboranylboranylboranylboranyl)borane
• 化学式: B₁₀H₁₂
• 分子量: 120.205
• InChiKey: UENFZWVFGDSSLV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -7.02
• 重原子数：
  10.0
• 可旋转键数：
  7.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  decaborane 、 2-硝基-N-苯基苯甲酰胺 在 palladium on charcoal 作用下， 以 甲醇 为溶剂， 生成 2’-氨基苯甲酰苯胺
  参考文献：
  名称：

  INHIBITORS OF THE SHIGA TOXINS TRAFFICKING THROUGH THE RETROGRADE PATHWAY

  摘要：

  本发明涉及使用一般式(I)和(II)化合物制备一种药物，用于预防和/或治疗由志贺毒素和相关毒素引起的疾病。

  公开号：

  US20110201601A1
• 作为试剂：
  描述：

  5-甲酰基-2-羟基苯甲酰胺 、 三乙二醇 在 decaborane 作用下， 反应 5.0h， 生成 2-Hydroxy-5-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzamide
  参考文献：
  名称：

  Rational Design and Synthesis of Androgen Receptor-Targeted Nonsteroidal Anti-Androgen Ligands for the Tumor-Specific Delivery of a Doxorubicin−Formaldehyde Conjugate

  摘要：

  The synthesis and preliminary evaluation of a doxorubicin-formaldehyde conjugate tethered to the nonsteroidal antiandrogen, cyanonilutamide (RU 56279), for the treatment of prostate cancer are reported. The relative ability of the targeting group to bind to the human androgen receptor was studied as a function of tether. The tether served to attach the antiandrogen to the doxorubicin-formaldehyde conjugate via an N-Mannich base of a salicylamide derivative. The salicylamide was selected to serve as a trigger release mechanism to separate the doxorubicin-formaldehyde conjugate from the targeting group after it has bound to the androgen receptor. The remaining part of the tether consisted of a linear group that spanned from the 5-position of the salicylamide to the X-position of cyanonilutamide. The structures explored for the linear region of the tether were derivatives of di(ethylene glycol), tri(ethylene glycol), N,N'-disubstituted-piperazine, and 2-butyne-1,4-diol. Relative binding affinity of the tethers bound to the targeting group for human androgen receptor were measured using a 3 H-Mibolerone competition assay and varied from 18% of nilutamide binding for the butynediol-based linear region to less than 1% for one of the piperazine derivatives. The complete targeted drug with the butynediol-based linear region has a relative binding affinity of 10%. This relative binding affinity is encouraging in light of the cocrystal structure of human androgen receptor ligand binding domain bound to the steroid Metribolone which predicts very limited space for a tether connecting the antiandrogen on the inside to the cytotoxin on the outside.

  DOI：

  10.1021/jm0303305