[2-(4-Chlorophenyl)phenyl]-piperazin-1-ylmethanone

• 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: [2-(4-Chlorophenyl)phenyl]-piperazin-1-ylmethanone
• 英文别名: [2-(4-chlorophenyl)phenyl]-piperazin-1-ylmethanone
• 化学式: C₁₇H₁₇ClN₂O
• 分子量: 300.8
• InChiKey: QHUCDIVHAJNQNE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• Acyl phosphonamidates and acyl benzylamines that are Bcl family antagonists for use in clinical management of conditions caused or mediated by senescent cells and for treating cancer
  申请人：Unity Biotechnology, Inc.

  公开号：US10703745B2

  公开（公告）日：2020-07-07

  This disclosure provides compounds with Bcl inhibitory activity based on a new chemical scaffold. Acyl phosphonamidate compounds may include a P-phenyl phosphonamidate moiety which is N-acylated with an aroyl or heteroaroyl group. The P-phenyl phosphonamidate moiety can be optionally substituted at phosphorus with thio (═S) instead of oxo (═O), and/or with a thioxy group or a second amino group instead of an oxy group. One of the heteroatoms attached to phosphorus can be cyclically linked to a carbon atom of the adjacent phenyl ring attached to the phosphorus to provide, together with the phosphorus atom through which they are connected, a heterocyclic ring. By incorporating such a cyclic constraint between two phosphorus substituents of the core linking moiety a favorable binding conformation can be promoted in the compounds. Selected compounds promote apoptosis in senescent cells, and can be developed for treating senescent-related conditions, such as osteoarthritis, ophthalmic disease, pulmonary disease, and atherosclerosis. Selected compounds promote apoptosis in cancer cells, and can be developed as chemotherapeutic agents.

  本公开提供了基于新化学支架的具有 Bcl 抑制活性的化合物。酰基膦酰氨化合物可包括一个 P-苯基膦酰氨分子，该分子被一个芳基或杂芳基 N-酰化。P-苯基膦酰氨化合物的磷可任选被硫代（═S）取代氧代（═O），和/或被硫氧基或第二氨基取代氧基。与磷相连的杂原子之一可与与磷相连的相邻苯环的碳原子循环连接，从而与通过其连接的磷原子一起形成杂环。通过在核心连接分子的两个磷取代基之间加入这种环状约束，可以促进化合物的有利结合构象。所选化合物能促进衰老细胞的凋亡，可开发用于治疗与衰老有关的疾病，如骨关节炎、眼科疾病、肺部疾病和动脉粥样硬化。精选化合物能促进癌细胞凋亡，可开发为化疗药物。