1--4-methyl-hexanon-(3) | 91693-99-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 1--4-methyl-hexanon-(3)
• 英文别名: 4-methyl-1-piperidin-1-yl-hexan-3-one；4-Methyl-1-piperidin-1-ylhexan-3-one
• CAS: 91693-99-1
• 化学式: C₁₂H₂₃NO
• 分子量: 197.321
• InChiKey: DOIKJGHPOQPYBB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• NOVEL CARBAZOLE EHOP-016 DERIVATIVES AS ANTI-CANCER AND ANTI-MIGRATORY AGENTS
  申请人：UNIVERSITY OF PUERTO RICO

  公开号：US20190125746A1

  公开（公告）日：2019-05-02

  A series of novel of EHop-016 derivatives is presented herein via designing and synthesizing compounds that mimics its more favorable “U-shaped” conformation that appears to be critical for inhibitory activity against Rac. Based on modeling studies on EHop-016, compounds with a more rigid structural conformation can mimic this “U-shaped” conformation would improve the anti-migration activity against metastatic cells. Compounds are disclosed that inhibit RhoGTPases that are useful for inhibiting hyperprofilerative and neoplastic diseases. Specifically, the compounds inhibit the GTPases Rac and Cdc42 that are overactive or overexpressed in signaling pathways in cancer and metastasis. Methods for treatment of cancer and hyperproliferative diseases are disclosed.

  本文介绍了一系列EHop-016衍生物，通过设计和合成模拟其更有利的“U”形构象的化合物，这对于抑制Rac的活性至关重要。基于对EHop-016的建模研究，具有更严格结构构象的化合物可以模拟这种“U”形构象，从而提高对转移性细胞的抗迁移活性。披露了抑制对抗过度增殖和肿瘤性疾病有用的RhoGTP酶的化合物。具体来说，这些化合物抑制了在癌症和转移中信号通路中过度活跃或过度表达的Rac和Cdc42 GTP酶。还披露了治疗癌症和过度增殖性疾病的方法。
• Carbazole EHop-016 derivatives as anti-cancer and anti-migratory agents
  申请人：UNIVERSITY OF PUERTO RICO

  公开号：US10729689B2

  公开（公告）日：2020-08-04

  A series of novel EHop-016 derivatives is presented herein via designing and synthesizing compounds that mimics its more favorable “U-shaped” conformation that appears to be critical for inhibitory activity against Rac. Based on modeling studies on EHop-016, compounds with a more rigid structural conformation can mimic this “U-shaped” conformation would improve the anti-migration activity against metastatic cells. Compounds are disclosed that inhibit RhoGTPases that are useful for inhibiting hyperprofilerative and neoplastic diseases, for instance compounds of formula (I) Specifically, the compounds inhibit the GTPases Rac and Cdc42 that are overactive or overexpressed in signaling pathways in cancer and metastasis. Methods for treatment of cancer and hyperproliferative diseases are disclosed.

  本文介绍了一系列新型 EHop-016 衍生物，通过设计和合成化合物来模拟其更有利的 "U 形 "构象，这种构象似乎是抑制 Rac 活性的关键。根据对 EHop-016 的建模研究，具有更坚硬结构构象的化合物可以模拟这种 "U 形 "构象，从而提高对转移细胞的抗迁移活性。已公开的抑制 RhoGTP 酶的化合物可用于抑制畸形和肿瘤性疾病，例如式 (I) 的化合物 具体而言，这些化合物可抑制在癌症和转移的信号通路中过度活跃或过度表达的 GTP 酶 Rac 和 Cdc42。本研究还公开了治疗癌症和过度增殖性疾病的方法。