triphenyl(2-phenylethynyl)-λ5-phosphane

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: triphenyl(2-phenylethynyl)-λ5-phosphane
• 化学式: C₂₆H₂₁P
• 分子量: 364.4
• InChiKey: UZCFLQCVQCYLAN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

文献信息

• Small molecule HSP70 inhibitors
  申请人：THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA

  公开号：US10010560B2

  公开（公告）日：2018-07-03

  In an effort to discover therapies for treating HSP70 related diseases, a previously unidentified hydrophobic pocket was found in the C-terminal domain of DnaK and of human HSP70. A novel chemical scaffold was also discovered for identifying compounds that treat diseases related to this hydrophobic pocket. The compounds have the structure of the formula (I), wherein L, M, and R1-R5 are defined herein and are, therefore, in these therapies, optionally with other pharmaceutical agents such as genotoxic agents. Accordingly these compounds are useful in inhibiting HSP70 or DnaK, reducing HSP70 in mitochondria of a cancer cell, treating malignant neoplastic disease, or inhibiting or reducing bacterial growth. These compounds also resulted in novel methods of screening for a HSP70 inhibitor or DnaK inhibitor by using the three-dimensional structure of the hydrophobic pocket in DnaK or HSP70.

  为了发现治疗 HSP70 相关疾病的疗法，在 DnaK 和人类 HSP70 的 C 端结构域中发现了一个以前未发现的疏水口袋。此外，还发现了一种新型化学支架，可用于鉴定治疗与该疏水口袋相关疾病的化合物。这些化合物具有式（I）结构，其中 L、M 和 R1-R5 在此定义，因此，在这些疗法中，可选择与其他药剂如基因毒性药剂一起使用。因此，这些化合物可用于抑制 HSP70 或 DnaK、减少癌细胞线粒体中的 HSP70、治疗恶性肿瘤疾病或抑制或减少细菌生长。通过利用 DnaK 或 HSP70 中疏水口袋的三维结构，这些化合物还产生了筛选 HSP70 抑制剂或 DnaK 抑制剂的新方法。
• Small Molecule HSP70 Inhibitors
  申请人：THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA

  公开号：US20170014434A1

  公开（公告）日：2017-01-19

  In an effort to discover therapies for treating HSP70 related diseases, a previously unidentified hydrophobic pocket was found in the C-terminal domain of DnaK and of human HSP70. A novel chemical scaffold was also discovered for identifying compounds that treat diseases related to this hydrophobic pocket. The compounds have the structure of the formula (I), wherein L, M, and R 1 -R 5 are defined herein and are, therefore, in these therapies, optionally with other pharmaceutical agents such as genotoxic agents. Accordingly these compounds are useful in inhibiting HSP70 or DnaK, reducing HSP70 in mitochondria of a cancer cell, treating malignant neoplastic disease, or inhibiting or reducing bacterial growth. These compounds also resulted in novel methods of screening for a HSP70 inhibitor or DnaK inhibitor by using the three-dimensional structure of the hydrophobic pocket in DnaK or HSP70.