1-(1-Bromomethyl-cyclobutyl)-4-chloro-benzene | 405090-67-7

• 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: 1-(1-Bromomethyl-cyclobutyl)-4-chloro-benzene
• 英文别名: 1-[1-(bromomethyl)cyclobutyl]-4-chlorobenzene
• CAS: 405090-67-7
• 化学式: C₁₁H₁₂BrCl
• 分子量: 259.573
• InChiKey: MRSFVCUUTPRIBO-UHFFFAOYSA-N

物化性质

• 沸点：
  305.9±25.0 °C(Predicted)
• 密度：
  1.443±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  二苯醚 、 1-(1-Bromomethyl-cyclobutyl)-4-chloro-benzene 在 sodium hydroxide 、 potassium carbonate 、 三氟乙酸 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 生成 [2-{3-[1-(4-Chloro-phenyl)-cyclobutylmethyl]-cyclohexyl}-2-(4-trifluoromethyl-phenoxy)-ethyl]-piperidine
  参考文献：
  名称：

  Method of treating addiction or dependence using a ligand for a monoamine receptor or transporter

  摘要：

  本发明的一个方面涉及一种治疗哺乳动物药物成瘾或药物依赖的方法，包括向需要的哺乳动物施用治疗有效量的杂环化合物的步骤，例如，3-取代哌啶。在一个优选实施例中，本发明的方法治疗可卡因成瘾或甲基苯丙胺成瘾。

  公开号：

  US20050080078A1

文献信息

• Ligands for monoamine receptors and transporters, and methods of use thereof
  申请人：——

  公开号：US20030050309A1

  公开（公告）日：2003-03-13

  One aspect of the present invention relates to heterocyclic compounds. A second aspect of the present invention relates to the use of the heterocyclic compounds as ligands for various mammalian cellular receptors, including dopamine, serotonin, or norepinephrine transporters. The compounds of the present invention will find use in the treatment of numerous ailments, conditions and diseases which afflict mammals, including but not limited to addiction, anxiety, depression, sexual dysfunction, hypertension, migraine, Alzheimer's disease, obesity, emesis, psychosis, schizophrenia, Parkinson's disease, inflammatory pain, neuropathic pain, Lesche-Nyhane disease, Wilson's disease, and Tourette's syndrome. An additional aspect of the present invention relates to the synthesis of combinatorial libraries of the heterocyclic compounds, and the screening of those libraries for biological activity, e.g., in assays based on dopamine transporters.

  本发明的一个方面涉及杂环化合物。本发明的第二个方面涉及将这些杂环化合物用作各种哺乳动物细胞受体的配体，包括多巴胺、5-羟色胺或去甲肾上腺素转运体。本发明的化合物将用于治疗许多困扰哺乳动物的疾病、症状和疾病，包括但不限于成瘾、焦虑、抑郁、性功能障碍、高血压、偏头痛、阿尔茨海默病、肥胖、呕吐、精神病、精神分裂症、帕金森病、炎症性疼痛、神经病性疼痛、Lesche-Nyhane病、威尔逊病和抽动症。本发明的另一个方面涉及合成这些杂环化合物的组合式库以及对这些库进行生物活性筛选，例如在基于多巴胺转运体的测定中。
• THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER
  申请人：Bajji C. Ashok

  公开号：US20070299258A1

  公开（公告）日：2007-12-27

  The invention relates to compounds of Formulae I-III and their therapeutic uses.

  这项发明涉及到I-III式化合物及其治疗用途。
• LIGANDS FOR MONOAMINE RECEPTORS AND TRANSPORTERS, AND METHODS OF USE THEREOF
  申请人：Aquila Brian M.

  公开号：US20090258901A1

  公开（公告）日：2009-10-15

  One aspect of the present invention relates to heterocyclic compounds. A second aspect of the present invention relates to the use of the heterocyclic compounds as ligands for various mammalian cellular receptors, including dopamine, serotonin, or norepinephrine transporters. The compounds of the present invention will find use in the treatment of numerous ailments, conditions and diseases which afflict mammals, including but not limited to addiction, anxiety, depression, sexual dysfunction, hypertension, migraine, Alzheimer's disease, obesity, emesis, psychosis, schizophrenia, Parkinson's disease, inflammatory pain, neuropathic pain, Lesche-Nyhane disease, Wilson's disease, and Tourette's syndrome. An additional aspect of the present invention relates to the synthesis of combinatorial libraries of the heterocyclic compounds, and the screening of those libraries for biological activity, e.g., in assays based on dopamine transporters.

  本发明的一个方面涉及杂环化合物。本发明的第二个方面涉及将杂环化合物用作各种哺乳动物细胞受体的配体，包括多巴胺、血清素或去甲肾上腺素转运体。本发明的化合物将用于治疗许多影响哺乳动物的疾病、状况和疾病，包括但不限于成瘾、焦虑、抑郁、性功能障碍、高血压、偏头痛、阿尔茨海默病、肥胖症、呕吐、精神病、精神分裂症、帕金森病、炎性疼痛、神经痛、Lesche-Nyhane病、威尔逊病和托瑞特综合症。本发明的另一个方面涉及合成杂环化合物的组合库，并对这些库进行生物活性筛选，例如基于多巴胺转运体的测定。
• AMELIORANT OR REMEDY FOR SYMPTOMS CAUSED BY ISCHEMIC DISEASES AND COMPOUNDS USEFUL THEREFOR
  申请人：SUNTORY LIMITED

  公开号：EP0755923A1

  公开（公告）日：1997-01-29

  A medicine having the following basic structure, for the alleviation or treatment of symptoms derived from ischemic diseases and seizures, epilepsy, and migraine, having a powerful action in suppressing cytotoxic Ca2+ overload and free from side-effects: wherein Z = C, CH, or N, X = O or CH2, E and Y = H, OH, a halogen, alkoxy, alkyl, or a halogen-substituted alkyl.

  一种具有以下基本结构的药物，用于缓解或治疗缺血性疾病和癫痫发作、癫痫和偏头痛引起的症状，在抑制细胞毒性 Ca2+ 过载方面具有强大的作用，且无副作用： 其中 Z = C、CH 或 N，X = O 或 CH2，E 和 Y = H、OH、卤素、烷氧基、烷基或卤素取代的烷基。
• ARYLPIPERIDINOL AND ARYLPIPERIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME
  申请人：SUNTORY LIMITED

  公开号：EP0867183A1

  公开（公告）日：1998-09-30

  A pharmaceutical composition, especially a pharmaceutical composition for the alleviation or treatment of symptoms due to ischemic diseases and symptoms derived from seizures, epilepsy, and migraine, and a Ca2+ overload suppressant, containing an arylpiperidinol or arylpiperidine derivative having the formula (I): wherein, R is H, an optionally substituted phenyl, an optionally substituted phenoxy, or an optionally substituted benzoyl, A is a connecting bond, a cycloalkylene, or an alkenylene optionally substituted with a lower alkyl, B is an alkylene optionally substituted with OH or an alkoxy or -NHCO(CH2)n- where n is an integer of 1 to 5, E is a connecting bond, O, or a methylene, X is OH or H provided that when E is O or a methylene, X is not H, and Y and Z are independently H, a halogen, an alyoxy, or an alyyl optionally substituted with a halogen.

  一种药物组合物，特别是一种用于缓解或治疗缺血性疾病引起的症状和癫痫发作、癫痫和偏头痛引起的症状的药物组合物，以及一种Ca2+超载抑制剂，含有具有式(I)的芳基哌啶醇或芳基哌啶衍生物： 其中，R 是 H、任选取代的苯基、任选取代的苯氧基或任选取代的苯甲酰基，A 是连接键、环烷基或任选被低级烷基取代的烯基、B 是任选被 OH 或烷氧基或-NHCO(CH2)n-取代的亚烷基，其中 n 是 1 至 5 的整数；E 是连接键、O 或亚甲基；X 是 OH 或 H，但当 E 是 O 或亚甲基时，X 不是 H；Y 和 Z 独立地是 H、卤素、烯丙基氧基或任选被卤素取代的烯丙基。