1-(异丙基)-N-(4-甲氧基-2-甲基苯基)环庚烷甲酰胺 | 56471-69-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 中文名称: 1-(异丙基)-N-(4-甲氧基-2-甲基苯基)环庚烷甲酰胺
• 英文名称: 1-(isopropyl)-N-(4-methoxy-2-methylphenyl)cycloheptanecarboxamide
• 英文别名: N-(4'-methoxy-2'-methylphenyl)-1-isopropylcycloheptanecarboxamide；N-(4-methoxy-2-methylphenyl)-1-propan-2-ylcycloheptane-1-carboxamide
• CAS: 56471-69-3
• 化学式: C₁₉H₂₉NO₂
• 分子量: 303.445
• InChiKey: YSCNEKGZQWJYEE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• N-arylsalkyl-carboxamide compositions and methods
  申请人：Wei T. Edward

  公开号：US20050187211A1

  公开（公告）日：2005-08-25

  N-(Substituted-aryl-alkyl)-cycloalkyl carboxamide compositions are disclosed that target molecular elements on sensory nerves and on secretory epithelia. Modulation of ion fluxes in neurons and epithelia inhibits the perception of itch, pain, discomfort from the skin. By acting on these targets, preferred embodiment compositions are useful for skin and sensory disorders, and, in the case of secretory epithelia, to retard cellular proliferation. These compounds are formulated as a topical or oral preparation with prolonged duration of action.

  本发明揭示了N-（取代芳基烷基）-环烷基羧酰胺组合物，其靶向感觉神经和分泌上皮的分子元素。在神经元和上皮细胞中调节离子通量会抑制皮肤的瘙痒、疼痛、不适感知。通过作用于这些靶点，优选实施例组合物对皮肤和感觉障碍有用，而在分泌上皮的情况下，可延缓细胞增殖。这些化合物被制成具有持久作用的局部或口服制剂。
• Aryl-substituted derivatives of cycloalkyl and branched chain alkyl carboxylic acids useful as antinociceptive drugs for peripheral targets
  申请人：Wei T. Edward

  公开号：US20050159394A1

  公开（公告）日：2005-07-21

  Novel peripheral antinociceptive compounds are disclosed having a pharmacophore unit that target small-diameter nerve fibers that transmit signals of pain and discomfort from the soma and viscera. By acting on this target, the pharmacophore unit obtunds pain and diminishes hyper-reflexia from organs such as the skin, the respiratory tract, the corpus, the lower urinary tract, and the bowel. The pharmacophore unit is coupled to substituents that facilitate delivery of the pharmacophore to its target.

  本发明揭示了一种新型周围镇痛化合物，其具有靶向从体内和内脏传递疼痛和不适信号的小直径神经纤维的药效团单位。通过作用于这个靶点，药效团单位减轻疼痛并减少器官（如皮肤、呼吸道、躯体、下泌尿道和肠道）的高反射性。药效团单位与有助于将药效团传递到其靶点的取代基耦合。
• Radioligands for the TRP-M8 receptor and methods therewith
  申请人：Wei T. Edward

  公开号：US20070053834A1

  公开（公告）日：2007-03-08

  One embodiment of the invention is a composition that comprises a radioactive [ 18 F], [ 76 Br]-, [ 77 Br]-, [ 211 At]-, [ 123 I], [ 125 I], or [ 131 I]-N-radioistope-labeled-aryl-alkyl-alkylcarboxamide molecule. The composition binds to the transient receptor potential-M8 (TRP-M8) receptor of cells. The TRP-M8 receptor is selectively expressed in sensory neurons and in malignant tissues such as prostate cancer cells. The [ 18 F], [ 76 Br]-, [ 77 Br]-, [ 211 At]-, [ 123 I], [ 125 I], or [ 131 I]-N-radioistope-labeled-aryl-alkyl-alkylcarboxamide ligand may be used for radioreceptor binding studies, for diagnostic studies, and for radiotherapy of cancerous tissues. Affinity of the N-radioistope-labeled-aryl-alkyl-alkylcarboxamide ligand for the TRP-M8 receptor confers selectivity and specificity in delivering lethal radiation to the diseased cells.

  本发明的一个实施例是一种组合物，该组合物包括放射性[18F]、[76Br]、[77Br]、[211At]、[123I]、[125I]或[131I] -N-放射性同位素标记的芳基-烷基-烷基羧酰胺分子。该组合物能够结合到细胞的瞬时受体电位-M8（TRP-M8）受体上。TRP-M8受体在感觉神经元和恶性组织（如前列腺癌细胞）中有选择性表达。[18F]、[76Br]、[77Br]、[211At]、[123I]、[125I]或[131I]-N-放射性同位素标记的芳基-烷基-烷基羧酰胺配体可用于放射受体结合研究、诊断研究和癌症组织放射治疗。N-放射性同位素标记的芳基-烷基-烷基羧酰胺配体对TRP-M8受体的亲和力赋予了选择性和特异性，可将致命辐射传递到患病细胞。
• US7417048B2
  申请人：——

  公开号：US7417048B2

  公开（公告）日：2008-08-26