2-氯-n~1~,n~1~-二乙基-1,4-苯二胺 | 68155-76-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 2-氯-n~1~,n~1~-二乙基-1,4-苯二胺
• 英文名称: 2-chloro-N¹,N¹-diethyl-1,4-phenylenediamine
• 英文别名: 1,4-Benzenediamine, 2-chloro-N1,N1-diethyl-；2-chloro-1-N,1-N-diethylbenzene-1,4-diamine
• CAS: 68155-76-0
• 化学式: C₁₀H₁₅ClN₂
• 分子量: 198.695
• InChiKey: JLPRWBZGPHCRIH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  13
• 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：
  29.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2921590090

反应信息

• 作为反应物：
  描述：

  5-甲基-3-苯基-4-异恶唑甲酸 、 2-氯-n~1~,n~1~-二乙基-1,4-苯二胺 在 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以51%的产率得到N-[3-chloro-4-(diethylamino)phenyl]-5-methyl-3-phenylisoxazole-4-carboxamide
  参考文献：
  名称：

  GATA4和NKX2-5蛋白-蛋白质相互作用调节剂的合成，鉴定和结构-活性关系分析。

  摘要：

  转录因子GATA4和NKX2-5直接相互作用并协同激活几种心脏基因和牵张诱导的心肌肥大。以前，我们将苯基异恶唑羧酰胺1确定为命中化合物，该化合物可抑制GATA4-NKX2-5转录协同作用。在此，通过合成和表征220个衍生物和与结构相关的化合物，探索了1分子结构周围的化学空间。除了协同转录激活，还评估了所选化合物对GATA4和NKX2-5转录活性的影响以及潜在的细胞毒性。结构-活性关系（SAR）分析表明，南部的芳族异恶唑取代基可调节对GATA4-NKX2-5转录协同的抑制作用。而且，对GATA4转录活性的抑制与细胞活力的降低有关。总之，综合的SAR分析和数据分析成功地确定了GATA4-NKX2-5转录协同作用的有效和选择性抑制剂，并揭示了对其重要的结构特征。

  DOI：

  10.1021/acs.jmedchem.9b01086

文献信息

• Methods and compositions of novel triazine compounds
  申请人：Timmer T. Richard

  公开号：US20070099874A1

  公开（公告）日：2007-05-03

  The present invention relates to methods and compositions comprising compounds that treat pathophysiological conditions arising from inflammatory responses. In particular, the present invention is directed to compounds that inhibit or block glycated protein produced induction of the signaling-associated inflammatory response in endothelial cells. The present invention relates to compounds that inhibit smooth muscle proliferation. In particular, the present invention is directed to compounds that inhibit smooth muscle cell proliferation by modulating HSPGs such as Perlecan. The present invention further relates to the use of compounds to treat vascular occlusive conditions characterized by smooth muscle proliferation such as restenosis and atherosclerosis.

  本发明涉及用于治疗由炎症反应引起的病理生理状态的化合物的方法和组合物。特别地，本发明涉及抑制或阻断糖化蛋白诱导内皮细胞信号相关炎症反应的化合物。本发明涉及抑制平滑肌增殖的化合物。特别地，本发明涉及通过调节HSPG（如Perlecan）来抑制平滑肌细胞增殖的化合物。本发明进一步涉及使用化合物治疗由平滑肌增殖所特征的血管闭塞性疾病，例如再狭窄和动脉粥样硬化。
• Medical devices employing triazine compounds and compositions thereof
  申请人：Timmer T. Richard

  公开号：US20070122444A1

  公开（公告）日：2007-05-31

  The present invention relates to methods, compounds, and compositions comprising compounds that treat pathophysiological conditions arising from inflammatory responses, and is directed to compounds that inhibit or block glycated protein produced induction of the signaling-associated inflammatory response in endothelial cells. The present invention also relates to compounds that inhibit smooth muscle proliferation, for example, by modulating HSPGs such as Perlecan. The present invention further relates to the use of compounds to treat vascular occlusive conditions characterized by smooth muscle proliferation such as restenosis and atherosclerosis. This invention also relates to medical devices, such as a stent, comprising a compound or composition of this invention disposed on or within the medical device.

  本发明涉及用于治疗由炎症反应引起的病理生理条件的方法、化合物和组合物，其针对的是抑制或阻断糖基化蛋白诱导的内皮细胞信号相关炎症反应的化合物。本发明还涉及抑制平滑肌增殖的化合物，例如通过调节HSPGs（如Perlecan）来实现。本发明进一步涉及使用化合物来治疗由平滑肌增殖所特征的血管闭塞性疾病，例如再狭窄和动脉粥样硬化。本发明还涉及医疗器械，例如支架，其包括本发明的化合物或组合物在医疗器械上或内部安置。
• QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS
  申请人：Bae In Hwan

  公开号：US20130165386A1

  公开（公告）日：2013-06-27

  Provided is a pharmaceutical composition comprising, as an active ingredient, a quinoline or quinazoline derivative of formula (I), a pharmaceutically acceptable salt, an isomer, a hydrate, and a solvate thereof, which is effective in the prevention and treatment of a cancer, inflammation, autoimmune diseases or neurodegenerative disorders which are induced by the overexpression of inhibitor of apoptosis proteins (IAPs).

  提供的是一种药物组合物，包含一种式子为(I)的喹啉或喹嗪衍生物作为活性成分，以及其药学上可接受的盐、异构体、水合物和溶剂化物。该组合物对于预防和治疗由凋亡抑制蛋白(IAPs)过度表达引起的癌症、炎症、自身免疫性疾病或神经退行性疾病具有有效性。
• COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES
  申请人：HYDRA BIOSCIENCES, INC

  公开号：US20130303521A1

  公开（公告）日：2013-11-14

  Compounds and compositions for treating injuries caused by exposure to chemical warfare agents are described herein.

  本文描述了用于治疗因暴露于化学战剂而引起的损伤的化合物和组合物。
• Antimicrobial compositions and methods
  申请人：Guire E. Patrick

  公开号：US20060147847A1

  公开（公告）日：2006-07-06

  The invention provides polymeric reagents of a formula: X a —Y-Z b wherein X is a latent reactive group, Y is a polymeric backbone, and Z is a melamine group. In some aspects of the above formula, a is in the range of 0.5 to 90 mole percent, and b is in the range of 10 to 99.5 mole percent. The latent reactive group can be a photoreactive group or a thermally-reactive group. Monomeric units for preparing the polymeric reagents are also described. Methods of using the polymeric reagents to provide modified surfaces are also described, as well as methods of providing biocidal surfaces and methods of treating habitats for halogen-sensitive microorganisms.

  本发明提供了式中的聚合物试剂： X a -Y-Z b 其中，X 是潜活性基团，Y 是聚合物骨架，Z 是三聚氰胺基团。在上式的某些方面，a 在 0.5 至 90 摩尔%的范围内，b 在 10 至 99.5 摩尔%的范围内。潜在反应基团可以是光反应基团或热反应基团。此外，还介绍了用于制备聚合物试剂的单体单元。还描述了使用聚合物试剂提供改性表面的方法，以及提供杀菌表面的方法和处理对卤素敏感的微生物栖息地的方法。