2-(4-氯苯基)苯胺 | 1207-00-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 2-(4-氯苯基)苯胺
• 英文名称: bis-N,N-(2-chloroethyl)-2-methoxyaniline
• 英文别名: o-anisole；N,N-bis(2-chloroethyl)-2-methoxylaniline；N,N-bis(2-chloroethyl)-o-anisidine；N,N-bis(2-chloroethyl)anisidine；N,N-Di(2-chloroethyl)-2-methoxyaniline；o-bis(2-chloroethyl)aminoanisole；n,n-Bis(2-chloroethyl)-2-methoxyaniline
• CAS: 1207-00-7
• 化学式: C₁₁H₁₅Cl₂NO
• 分子量: 248.152
• InChiKey: JHEGFJPJFFDLIB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  12.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(4-氯苯基)苯胺 在 sodium sulfide 、 丙酮 作用下， 生成 4-(2-methoxy-phenyl)-thiomorpholine
  参考文献：
  名称：

  DE964290

  摘要：

  公开号：
• 作为产物：
  描述：

  2-[2-羟基乙基-(2-甲氧基苯基)氨基]乙醇 在 氯化亚砜 作用下， 以 氯仿 为溶剂， 生成 2-(4-氯苯基)苯胺
  参考文献：
  名称：

  Synthesis and structure–analgesic activity relationships of a novel series of monospirocyclopiperazinium salts (MSPZ)

  摘要：

  A series of monospirocyclopiperazinium salts were designed and synthesized to search for a peripherally-acting analgesic drug with low side effects. Extensive SAR studies revealed that a suitable (NRR3)-R-2 was critical for the analgesic activity, which might be beneficial to expose the cationic nitrogen to bind to the receptor, and possibly interact with the receptor via pi-pi interaction. Introduction of substituting group on the N-4-phenyl ring could improve the activity, and the best position was the 4-position. Compound 14n showed more potent analgesic activity (63%, 20 mu M/kg, sc) and holds promise for development as a mechanically new analgesic drug. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.12.052

文献信息

• 1,2,3,4-Tetrahydro-2-piperazinyl-naphthalenes for treating hypertension
  申请人：Sandoz Ltd.

  公开号：US04308266A1

  公开（公告）日：1981-12-29

  The present invention provides tetraline derivatives, useful for the treatment of hypertension, a process for their preparation and compositions containing these compounds.

  本发明提供了四氢萘衍生物，用于治疗高血压，以及它们的制备方法和含有这些化合物的组合物。
• 1,4:3,6-Dianhydrohexitol Nitrate Derivatives. II. Synthesis and Antianginal Activity of Aryl- or Arylcarbonylpiperazine Derivatives.
  作者：Hiroaki HAYASHI、Junichi IKEDA、Kazuhiro KUBO、Takahiro MORIYAMA、Akira KARASAWA、Fumio SUZUKI

  DOI：10.1248/cpb.41.1100

  日期：——

  A series of 5-(4-aryl- or 4-arylcarbonylpiperazin-1-yl)-5-deoxy-1,4: 3,6-dianhydro-L-iditol 2-nitrates was prepared in order to obtain orally active, nitrate-type vasodilators with reduced side effects. Our drug design was based on a small reduction in the lipophilicity compared to that of 5-deoxy-5-[4-(3-phenylthiopropyl)piperazin-1-yl]-1,4: 3,6-dianhydro-L-iditol 2-nitrate (1, KF14124). Compounds

  为了获得口服活性硝酸盐，制备了一系列5-（4-芳基-或4-芳基羰基哌嗪-1-基）-5-脱氧-1,4：3,6-二脱水-L-iditol 2-硝酸盐。型血管舒张药，减少副作用。我们的药物设计基于与5-脱氧-5- [4-（3-苯硫丙基）哌嗪-1-基] -1,4：3,6-二脱水-L-糖醇相比，亲脂性略有降低2硝酸盐（1，KF14124）。化合物4h（芳基=苯并咪唑-2-基），4i（芳基羰基=烟酰基）和4w（芳基羰基= 3-呋喃基）在赖氨酸-加压素诱导的心绞痛心绞痛模型（大鼠）中显示出强效的抗缺血活性讨论了构效关系。与硝酸异山梨酯（2）相比，化合物4i在麻醉的狗中显示出强效的冠状动脉舒张血管扩张作用，在心力衰竭模型（狗）中也显示出有效的预负荷降低，尼可地尔（3）和KF14124（1）。此外，在小鼠中，4i显示出比1i弱得多的急性致死毒性和更少的中枢神经系统抑制作用。因此，正在开发4i（KW-3196）作为血管扩张剂和治疗心绞痛的药物。
• Substituted Phenylpiperazinyl Aralkylalcohol Derivatives, Pharmaceutical Compositions Containing Such Derivatives and Uses Thereof
  申请人：Li Jianqi

  公开号：US20110294822A1

  公开（公告）日：2011-12-01

  The invention relates to a substituted phenylpiperazine aryl alkanol derivative represented by the following general formula and its salt and hydrate, wherein C 1 and C 2 represent chiral carbon atoms, and the compound is one of the six isomers: (1RS, 2SR), (1RS, 2RS), (1R, 2S), (1S, 2S), (1R, 2R) or (1S, 2R); and R, R 1 , R 2 , R 3 and Ar are as defined in the specification. The derivative is non-opioid analgesic, has good analgesic effect and relatively small side effects. The invention also relates to a composition comprising the derivative and its use.

  该发明涉及一种由以下通用公式表示的取代苯基哌嗪芳基烷醇衍生物及其盐和水合物，其中C1和C2代表手性碳原子，化合物是六种异构体之一：(1RS, 2SR)、(1RS, 2RS)、(1R, 2S)、(1S, 2S)、(1R, 2R)或(1S, 2R)；R、R1、R2、R3和Ar如规范中所定义。该衍生物是一种非阿片类镇痛药，具有良好的镇痛效果和相对较小的副作用。该发明还涉及包含该衍生物及其用途的组合物。
• Novel piperidine derivative
  申请人：Ban Hitoshi

  公开号：US20070078120A1

  公开（公告）日：2007-04-05

  The invention provides a compound of the following formula (1): wherein m, n, and p are independently an integer of 0-4, provided 3≦m+n≦8; X is nitrogen atom or a group of the formula: C—R 15 ; Y is a substituted or unsubstituted aromatic group, etc.; R 15 , R 1 , R 2 , R 3 , R 4 , R 5 , R 6 and R 7 are hydrogen atom, a substituted or unsubstituted alkyl group, etc.; and Z is hydrogen atom, cyano group, etc., or a prodrug thereof, or a pharmaceutically acceptable salt thereof, which exhibits an action for enhancing LDL receptor expression, and is useful as a medicament for treating hyperlipidemia, atherosclerosis, etc.

  本发明提供了以下式(1)的化合物：其中m，n和p分别是0-4的整数，满足3≦m+n≦8；X是氮原子或式：C—R15的基团；Y是取代或未取代的芳香基团等；R15，R1，R2，R3，R4，R5，R6和R7是氢原子，取代或未取代的烷基等；Z是氢原子，氰基等，或其前药，或其药学上可接受的盐，具有增强LDL受体表达的作用，并且可用作治疗高脂血症，动脉粥样硬化等药物。
• Piperazine derivatives useful as calmodolin inhibitors
  申请人：DAIICHI PHARMACEUTICAL CO., LTD.

  公开号：EP0624584A1

  公开（公告）日：1994-11-17

  A compound represented by formula (I): wherein Q represents an aryl group, a heterocyclic group, a diarylmethyl group, an aralkyl group composed of an aryl group and an alkylene group, an alkyl group or a cycloalkyl group, in which the aryl group, heterocyclic group, and the aryl moiety of the diarylmethyl group and aralkyl group may be substituted with one or more substituents; R represents a bicyclic, substituted, nitrogen-containing heterocyclic group or a substituted phenyl group, in which the nitrogen-containing heterocyclic group is composed of a 5-membered, substituted, aromatic or saturated ring containing one or two nitrogen atoms and a 6-membered ring; and Z represents an alkylene group, an alkenylene group, an alkylene group, a carbonyl group, an alkylene group containing a carbonyl group or an oxalyl group, or a salt thereof. The compound has calmodulin inhibitory activity and is useful as a treating agent for diseases in the circulatory organs or in the cerebral region which are caused by excessive activation of calmodulin.

  式 (I) 所代表的化合物： 其中 Q 代表芳基、杂环基、二芳甲基、由芳基和亚烷基组成的芳烷基、烷基或环 烷基，其中芳基、杂环基以及二芳甲基和芳烷基的芳基可被一个或多个取代基取代；R 代表双环、取代的含氮杂环基团或取代的苯基，其中含氮杂环基团由含有一个或两个氮原子的五元环、取代的芳香环或饱和环以及六元环组成；以及 Z 代表烯基、烯基、亚烷基、羰基、含有羰基的亚烷基或草酰基、 或其盐。该化合物具有钙调蛋白抑制活性，可用于治疗因钙调蛋白过度活化而引起的循环器官或脑部疾病。