苯,1-(4-氯-2-丁烯基)-4-硝基-,(E)- | 102285-55-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 苯,1-(4-氯-2-丁烯基)-4-硝基-,(E)-
• 英文名称: (E)-1-(4-chloro-2-butenyl)-4-nitrobenzene
• 英文别名: 1-[(E)-4-chlorobut-2-enyl]-4-nitrobenzene
• CAS: 102285-55-2
• 化学式: C₁₀H₁₀ClNO₂
• 分子量: 211.648
• InChiKey: KRLZPECRWPTVJR-OWOJBTEDSA-N

物化性质

• 沸点：
  347.6±30.0 °C(Predicted)
• 密度：
  1.229±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  苯,1-(4-氯-2-丁烯基)-4-硝基-,(E)- 、 二乙胺 、 盐酸 、 水 生成 (E)-N,N-diethyl-4-(4-nitrophenyl)but-2-en-1-amine;hydrochloride
  参考文献：
  名称：

  MORGAN TH. K., JR.; WOHL R. A.; LUMMA W. C., JR.; WAN CHUNG-NAN; DAVEY D.+, J. MED. CHEM., 29,(1986) N 8, 1398-1405

  摘要：

  DOI：
• 作为产物：
  描述：

  水 生成 苯,1-(4-氯-2-丁烯基)-4-硝基-,(E)-
  参考文献：
  名称：

  MORGAN TH. K., JR.; WOHL R. A.; LUMMA W. C., JR.; WAN CHUNG-NAN; DAVEY D.+, J. MED. CHEM., 29,(1986) N 8, 1398-1405

  摘要：

  DOI：

文献信息

• HIV PROTEASE INHIBITORS
  申请人：MCCAULEY John A.

  公开号：US20170217986A1

  公开（公告）日：2017-08-03

  The present invention is directed to 2,6-morpholine derivatives of Formula (I): and pharmaceutically acceptable salts thereof, wherein Z 1 , Z 2 , V 1 , V 2 , V 3 , R 6 , R 6A , and X are defined herein. The invention also relates to methods of using the 2,6-morpholine derivatives of the invention for the inhibition of HV protease, the inhibition of HV replication, the prophylaxis of infection by HIV, the treatment of infection by HIV, and the prophylaxis, treatment, and delay in the onset or progression of AIDS. The compounds and their salts can be employed as ingredients in pharmaceutical compositions, optionally in combination with other antivirals, immunomodulators, antibiotics or vaccines.

  本发明涉及Formula (I)的2,6-吗啉衍生物及其药用盐，其中Z1、Z2、V1、V2、V3、R6、R6A和X在此被定义。该发明还涉及使用该发明的2,6-吗啉衍生物来抑制HV蛋白酶、抑制HV复制、预防HIV感染、治疗HIV感染以及预防、治疗和延缓艾滋病的发作或进展的方法。这些化合物及其盐可作为药物组合物中的成分使用，可选择性地与其他抗病毒药物、免疫调节剂、抗生素或疫苗结合使用。
• Synthesis and Class III antiarrhythmic activity of (phenyl-2-butenyl)ammonium salts. Effect of conformation on activity
  作者：Thomas K. Morgan、Ronald A. Wohl、William C. Lumma、Chung Nan Wan、David D. Davey、Robert P. Gomez、Anthony J. Marisca、Martha Briggs、Mark E. Sullivan、Samuel S. Wong

  DOI：10.1021/jm00158a014

  日期：1986.8

  The syntheses of seven 4-(substituted phenyl)but-2-en(or yn)yl quaternary ammonium salts and four related tertiary amines are described. The Meerwein arylation reaction was the preferred synthetic method for the required intermediate 1-aryl-4-halo-2-butenes (15a-c, 18). In the case of 18, the trans stereochemistry of the Meerwein adduct of 2,3-dimethylbutadiene was established unambiguously by 2D NMR

  描述了七个4-（取代的苯基）丁-2-烯（或炔基）季铵盐和四个相关的叔胺的合成。Meerwein芳基化反应是所需中间体1-芳基-4-卤代-2-丁烯（15a-c，18）的优选合成方法。对于18，通过2D NMR和X射线研究明确地确定了2，3-二甲基丁二烯的Meerwein加合物的反式立体化学。标题化合物代表III类抗心律不齐药clofilium（1）的构象受限类似物，并且在使用分离的犬浦肯野纤维进行的体外评估中显示出可比的效能和功效。这些结果表明1中的亚烷基链以活性构象延伸。计算机辅助构象分析（MM2）支持这一结论。
• Unsaturated arylalkyl ammonium salts
  申请人：SCHERING AKTIENGESELLSCHAFT

  公开号：EP0134424A1

  公开（公告）日：1985-03-20

  The novel unsaturated arylalkyl ammonium salts described herein are useful as antiarrhythmic agents. A method of treating arrhythmia by increasing the refractoriness of cardiac tissue is provided, as well as pharmaceutical formulations containing such ammonium salts.

  本文所述的新型不饱和芳烷基铵盐可用作抗心律失常药物，并提供了一种通过增加心脏组织的折射性来治疗心律失常的方法，以及含有此类铵盐的药物制剂。
• Synthesis and Activity against Multidrug Resistance in Chinese Hamster Ovary Cells of New Acridone-4-carboxamides
  作者：Nerina Dodic、Bernard Dumaitre、Alain Daugan、Pascal Pianetti

  DOI：10.1021/jm00013a017

  日期：1995.6

  A number of tricyclic carboxamides have been synthesized and tested to evaluate their ability to reverse multidrug resistance in the (CHC)-C-R/5 cell line. Among them the acridone derivatives were the most potent, A key feature is the presence of a dimethoxybenzyl or phenethylamine cationic site, separated from the tricyclic lipophilic part by a carbamoylphenyl chain. Optimization led to compounds 2 orders of magnitude more active than the prototype inhibitors verapamil and amiodarone. On the basis of in vitro and in vivo activities, 9,10-dihydro-5-methoxy- 9-oxo-N-[4-[2-(1,2,3,4-tetrahydro-6,7-dimethoxyisoquinol-2-yl)ethyl]phenyl]-4-acridinecarboxamide (84) has been selected for further development.
• MORGAN TH. K., JR.; WOHL R. A.; LUMMA W. C., JR.; WAN CHUNG-NAN; DAVEY D.+, J. MED. CHEM., 29,(1986) N 8, 1398-1405
  作者：MORGAN TH. K., JR.、 WOHL R. A.、 LUMMA W. C., JR.、 WAN CHUNG-NAN、 DAVEY D.+

  DOI：——

  日期：——