2-Bromomethyl-6,10-bis-(tert-butyl-dimethyl-silanyloxymethyl)-triphenylene | 673477-56-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 2-Bromomethyl-6,10-bis-(tert-butyl-dimethyl-silanyloxymethyl)-triphenylene
• CAS: 673477-56-0
• 化学式: C₃₃H₄₅BrO₂Si₂
• 分子量: 609.794
• InChiKey: JKZDOVLTZAEXPQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.08
• 重原子数：
  38.0
• 可旋转键数：
  7.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  18.46
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  2-Bromomethyl-6,10-bis-(tert-butyl-dimethyl-silanyloxymethyl)-triphenylene 在 lithium copper bromide 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 为溶剂， 反应 48.0h， 生成
  参考文献：
  名称：

  A possible improvement for structure-based drug design illustrated by the discovery of a Tat HIV-1 inhibitor

  摘要：

  The HIV-1 Tat protein is a promising target for AIDS therapy, due to its extra-cellular roles against the immune system. From the 2D-NMR structure of Tat, we have designed molecules, called TDS, able to bind to Tat and inhibit HIV-1 replication in vitro. This new family of antivirals is composed of a triphenylene aromatic ring substituted with at least one carbon chain bearing a succinimide group. These ligands are prepared from triphenylene or 2,6, 10-trimethylphenylene in 3-6 steps depending on the target molecule. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.12.095
• 作为产物：
  描述：

  [6,10-Bis-(tert-butyl-dimethyl-silanyloxymethyl)-triphenylen-2-yl]-methanol 在 N-溴代丁二酰亚胺(NBS) 、 二甲基硫 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以89%的产率得到2-Bromomethyl-6,10-bis-(tert-butyl-dimethyl-silanyloxymethyl)-triphenylene
  参考文献：
  名称：

  A possible improvement for structure-based drug design illustrated by the discovery of a Tat HIV-1 inhibitor

  摘要：

  The HIV-1 Tat protein is a promising target for AIDS therapy, due to its extra-cellular roles against the immune system. From the 2D-NMR structure of Tat, we have designed molecules, called TDS, able to bind to Tat and inhibit HIV-1 replication in vitro. This new family of antivirals is composed of a triphenylene aromatic ring substituted with at least one carbon chain bearing a succinimide group. These ligands are prepared from triphenylene or 2,6, 10-trimethylphenylene in 3-6 steps depending on the target molecule. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.12.095