[2-(3-Chloro-phenyl)-ethyl]-dimethyl-amine | 27959-06-4

• 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-(3-Chloro-phenyl)-ethyl]-dimethyl-amine
• 英文别名: Phenethylamine, m-chloro-N,N-dimethyl-；2-(3-chlorophenyl)-N,N-dimethylethanamine
• CAS: 27959-06-4
• 化学式: C₁₀H₁₄ClN
• 分子量: 183.681
• InChiKey: BKRCVTMYFIKQPN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  聚合甲醛 、 2-(3-氯苯基)乙胺 在 甲酸 作用下， 以 水 为溶剂， 反应 24.0h， 生成 [2-(3-Chloro-phenyl)-ethyl]-dimethyl-amine
  参考文献：
  名称：

  Structure−Activity Relationships for the Binding of Arylpiperazines and Arylbiguanides at 5-HT₃ Serotonin Receptors

  摘要：

  Arylpiperazines are nonselective agents that bind at 5-HT3 serotonin receptors with moderate to high affinity, whereas 1-phenylbiguanide is a low-affinity but more selective 5-HT3 agonist. In an attempt to enhance the affinity of the latter agent, and working with the assumption that similarities might exist between the binding of the two types of agents, we formulated structure-activity relationships for the binding of the arylpiperazines and then incorporated those substituents, leading to high affinity for the arylpiperazines, into 1-phenylbiguanide. A subsequent investigation examined the structure-activity relationships of the arylbiguanides and identified arylguanidines as a novel class of 5-HT3 ligands. Although curious similarities exist between the structure-activity relationships of the arylpiperazines, arylbiguanides, and arylguanidines, it cannot be concluded that all three series of compounds are binding in the same manner. Furthermore, upon investigating pairs of compounds in the three series, the arylpiperazines behaved as 5-HT3 antagonists (von Bezold-Jarisch assay) whereas the arylbiguanides and arylguanidines acted as 5-HT3 agonists.

  DOI：

  10.1021/jm9603936

文献信息

• 8-OXODIHYDROPURINE DERIVATIVE
  申请人：Aachi Keiji

  公开号：US20120172347A1

  公开（公告）日：2012-07-05

  The present invention provides a compound represented by the formula (1) or a pharmaceutically acceptable salt thereof (wherein W represents a hydrogen atom, a halogen atom, or the others; A represents an alkyl group optionally substituted by aryl group or the others, an aryl group, or the others; and one of X and Y represents a di-substituted alkylaminocarbonyl group, or the others, and the other represents a hydrogen atom, an alkyl group, an alkylcarbonyl group, or the others); a medicament or a pharmaceutical composition for treatment or prophylaxis of FAAH-related diseases such as depression, anxiety disorder or pains, comprising the compound or the like as an active ingredient; a use of the compound or the like; and a method for treatment or prophylaxis using the compound or the like.

  本发明提供一种由式（1）表示的化合物或其药用可接受的盐（其中W代表氢原子、卤素原子或其他；A代表可选地被芳基取代的烷基基团或其他、芳基团或其他；X和Y中的一个代表二取代的烷基氨基羰基团或其他，另一个代表氢原子、烷基基团、烷基羰基团或其他）；一种治疗或预防FAAH相关疾病如抑郁症、焦虑症或疼痛的药物或药物组合物，包括该化合物或类似物作为活性成分；一种使用该化合物或类似物的用途；以及使用该化合物或类似物的治疗或预防方法。
• Novel halophenyl-pyridyl-allylamine derivatives, processes and intermediates as well as pharmaceutical preparations thereof
  申请人：Astra Läkemedel Aktiebolag

  公开号：EP0029420A1

  公开（公告）日：1981-05-27

  Compounds of the formula wherein R is H or CH3, n is 1 or 2 and X is F, Cl, Br, I bound in an optional position to the phenyl group, provided that when X is Br it is bound in a position other than the 4 position, processes for their preparation and pharmaceutical preparations, methods of treatment employing such compounds. The compounds are useful for therapeutic treatment of various kinds of depressive conditions.

  式中R为H或CH3，n为1或2，X为F、Cl、Br、I，与苯基在任选位置结合，但当X为Br时，与苯基在4位以外的位置结合的化合物，其制备工艺和药物制剂，以及使用此类化合物的治疗方法。 这些化合物可用于治疗各种抑郁症。
• Structure–activity correlations for β-phenethylamines at human trace amine receptor 1
  作者：Anita H. Lewin、Hernán A. Navarro、S. Wayne Mascarella

  DOI：10.1016/j.bmc.2008.06.009

  日期：2008.8

  A cell line in which RD-HGA16 cells were stably transfected with the hTAAR 1 receptor was created and utilized to carry out a systematic evaluation of a series of beta-phenethylamines. Fair agreement was observed with data obtained for aryl and ethylene chain substituted analogs in an AV12-664 cell line in which hemagglutinin-tagged hTAAR 1 was stably co-expressed with rat Gas. Analogs with multiple substituents as well as analogs with bulky groups were found to be partial agonists. Analogs in which the primary amino group was converted to a secondary or a tertiary amino group by N-methylation were also partial agonists. Comparative Molecular Field Analysis (CoMFA) using the potency data yielded a regression coefficient r(2) of 0.824. The steric field contribution to the model was 61% with the balance (39%) contributed by the electrostatic field. The collective results suggest that increasing steric bulk both at the amino nitrogen, particularly by N-dimethylation, and at the 4-position of the aromatic ring leads to low efficacy ligands. (C) 2008 Elsevier Ltd. All rights reserved.
• METHOD FOR PRODUCING CYCLOPLATINIZED PLATINUM COMPLEXES, PLATINUM COMPLEXES PRODUCED BY SAID METHOD, AND THE USE THEREOF
  申请人：Englert Ullrich

  公开号：US20100267977A1

  公开（公告）日：2010-10-21

  The present invention relates to a process for preparing cycloplatinated platinum(II) complexes, platinum(II) complexes prepared by this process and the use thereof for the treatment of tumor diseases and/or hemo blastoses.
• US4418065A
  申请人：——

  公开号：US4418065A

  公开（公告）日：1983-11-29