4-(2-(4-硝基苯基)乙基)吗啉 | 210158-20-6

• 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: 4-(2-(4-硝基苯基)乙基)吗啉
• 英文名称: 4-[2-(4-nitro-phenyl)-ethyl]-morpholine
• 英文别名: 4-(2-(4-nitrophenyl)ethyl)morpholine；4-[2-(4-nitrophenyl)ethyl]morpholine；4-(4-nitrophenylethyl)morpholine；4-(4-nitrophenethyl)morpholine；4-(2-morpholino-ethyl)-nitrobenzene；4-(4-nitro-phenethyl)-morpholine
• CAS: 210158-20-6
• 化学式: C₁₂H₁₆N₂O₃
• mdl: MFCD01249119
• 分子量: 236.271
• InChiKey: GFFZFWAUXAFCSY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  58.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(2-(4-硝基苯基)乙基)吗啉 在 盐酸 、 palladium 10% on activated carbon 、 氢气 作用下， 以 水 、 乙酸乙酯 为溶剂， 反应 72.5h， 生成 2,6-diisopropyl-4-((4-(2-morpholinoethyl)phenyl)diazenyl)phenol
  参考文献：
  名称：

  偶氮丙泊酚：GABAA 受体的光致变色增强剂

  摘要：

  闪耀和崛起！GABA A受体是配体门控氯离子通道，可响应 γ-氨基丁酸 (GABA)，γ-氨基丁酸是哺乳动物中枢神经系统的主要抑制性神经递质。丙泊酚的偶氮苯衍生物，如化合物1（参见图解），在暗状态下会增加 GABA 诱导的电流，并在曝光时失去这种特性，因此起到光致变色增强剂的作用。化合物1可用作半透明蝌蚪的光依赖全身麻醉剂。

  DOI：

  10.1002/anie.201205475
• 作为产物：
  描述：

  2,2-dibromo-1-(4-nitrophenyl)ethene 在 sodium tetrahydroborate 、 三氟化硼乙醚 、 水 作用下， 以 四氢呋喃 为溶剂， 生成 4-(2-(4-硝基苯基)乙基)吗啉
  参考文献：
  名称：

  Synthesis and biological evaluation of new 4β-anilino-4′-O-demethyl-4-desoxypodophyllotoxin derivatives as potential antitumor agents

  摘要：

  A series of new 4 beta-anilino-4'-O-demethyl-4-desoxypodophyllotoxin derivatives were prepared and evaluated for their cytotoxicities against four human cancer cell lines including KB, KB/VCR, A549 and 95D. Most compounds showed better growth-inhibition activities against tested cell lines than that of etoposide (VP-16). Preliminary structure-activity relationships (SARs) were concluded and it indicated that the side chains substituted at 4 beta position of podophyllotoxin significantly influenced the cytotoxic activity, especially for the drug resistance profile. In vivo studies of compound 26c on highly metastatic human lung cancer xenograft in nude mice showed that it can significantly inhibit tumor growth with administrating by oral route. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.11.016

文献信息

• Nucleophilic additions to polarized vinylarenes
  作者：Krishna Kumar Gnanasekaran、Junghak Yoon、Richard A. Bunce

  DOI：10.1016/j.tetlet.2016.06.033

  日期：2016.7

  substituents on the side chain double bond. The study revealed that nitro substitution gave the best results for addition of carbon and nitrogen nucleophiles. Cyano-substituted systems added carbon nucleophiles, but underwent polymerization or degradation with nitrogen nucleophiles. Ethoxycarbonyl-bearing substrates reacted primarily at the ester carbonyl. The reaction generally proceeded well with methyl

  将亲核试剂加到在邻位或对位结合了吸电子基团的苯乙烯的末端双键碳上位置已被研究。已经优化了该转化的条件，并且已经探索了对底物的结构修饰。结构变化包括芳环上活化基的变化和侧链双键上的定位取代基。研究表明，硝基取代对于碳和氮亲核试剂的添加效果最佳。氰基取代的系统添加了碳亲核试剂，但是经过了氮亲核试剂的聚合或降解。带有乙氧基羰基的底物主要在酯羰基上反应。通常，在双键的α碳上有甲基的情况下，反应进行得很好，但在β位置的甲基会使反应变慢。对于22个实例，产率从50％变化到97％。
• Substituted benzazoles and methods of their use as inhibitors of Raf kinase
  申请人：——

  公开号：US20040122237A1

  公开（公告）日：2004-06-24

  New substituted benz-azole compounds, compositions and methods of inhibition of Raf kinase activity in a human or animal subject are provided. The new compounds compositions may be used either alone or in combination with at least one additional agent for the treatment of a Raf kinase mediated disorder, such as cancer.

  提供了新的替代苯唑化合物、组合物和抑制人类或动物主体中Raf激酶活性的方法。这些新化合物组合物可以单独使用，也可以与至少一种额外药物结合，用于治疗由Raf激酶介导的疾病，如癌症。
• Pyrazole compounds
  申请人：——

  公开号：US20030060453A1

  公开（公告）日：2003-03-27

  Pharmaceutical compositions and compounds are provided. The compounds of the invention demonstrate anti-proliferative activity, and may promote apoptosis in cells lacking normal regulation of cell cycle and death. In one embodiment of the invention, pharmaceutical compositions of the compounds in combination with a physiologically acceptable carrier are provided. The pharmaceutical compositions are useful in the treatment of hyperproliferative disorders, which disorders include tumor growth, lymphoproliferative diseases, angiogenesis. The compounds of the invention are substituted pyrazoles and pyrazolines.

  提供药物组合物和化合物。发明的化合物显示出抗增殖活性，并且可能促进缺乏正常细胞周期和死亡调控的细胞的凋亡。发明的一个实施例提供了化合物与生理可接受载体组合的药物组合物。该药物组合物可用于治疗过度增殖障碍，包括肿瘤生长、淋巴增殖性疾病、血管生成。发明的化合物是取代吡唑和吡唑啉。
• HETEROCYCLIC COMPOUND
  申请人：Takeda Pharmaceutical Company Limited

  公开号：US20170044132A1

  公开（公告）日：2017-02-16

  The present invention provides a heterocyclic compound having a CDK8 and/or CDK19 inhibitory effect. The present invention provides a compound represented by formula (I) (in the formula, the symbols are as defined in the description) or a salt thereof.

  本发明提供一种具有CDK8和/或CDK19抑制作用的杂环化合物。本发明提供一种由式(I)表示的化合物 （在式中，符号如描述中定义）或其盐。
• 1, 2, 4-TRIAZOLONE DERIVATIVE
  申请人：Kuwada Takeshi

  公开号：US20130197217A1

  公开（公告）日：2013-08-01

  The present invention provides a 1,2,4-triazolone derivative represented by Formula (1A) having an antagonistic activity on the arginine-vasopressin 1b receptor or a pharmaceutically acceptable salt thereof and provides a pharmaceutical composition comprising the compound or the salt as an active ingredient, in particular, a therapeutic or preventive agent exhibiting favorable pharmacokinetics in a disease such as mood disorder, anxiety disorder, schizophrenia, Alzheimer's disease, Parkinson's disease, Huntington's chorea, eating disorder, hypertension, gastrointestinal disease, drug addiction, epilepsy, cerebral infarction, cerebral ischemia, cerebral edema, head injury, inflammation, immune-related disease, or alopecia.

  本发明提供了一种1,2,4-三唑酮衍生物，其表示为式（1A），具有对精氨酸加压素1b受体的拮抗活性或其药用盐，并提供了包含该化合物或盐作为活性成分的药物组合物，特别是在诸如情绪障碍、焦虑障碍、精神分裂症、阿尔茨海默病、帕金森病、亨廷顿舞蹈症、进食障碍、高血压、胃肠疾病、药物成瘾、癫痫、脑梗死、脑缺血、脑水肿、头部损伤、炎症、免疫相关疾病或脱发等疾病中展现良好药代动力学的治疗或预防剂。