(4-nitrophenyl)(1,3-thiazolidin-2-yliden)amine

• 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: (4-nitrophenyl)(1,3-thiazolidin-2-yliden)amine
• 英文别名: 2-(4-Nitrophenylimino)-1,3-thiazolidine；N-(4-nitrophenyl)-4,5-dihydro-1,3-thiazol-2-amine
• 化学式: C₉H₉N₃O₂S
• 分子量: 223.255
• InChiKey: AEWYAFHOJANJRT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  95.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (4-nitrophenyl)(1,3-thiazolidin-2-yliden)amine 、 硫代异氰酸苯酯 生成 2--thiazolin
  参考文献：
  名称：

  LXIV的形成和转化的研究。酸，氨基醇基硫脲酸和异硫氰酸酯基：无硫烷基的N-硫代氨基甲酰基化环化分子内分子

  摘要：

  具有伯氨基或仲氨基的氨基烷基硫酸单酯（除了三聚氰胺硫酸单酯除外）在一当量碱的存在下与异硫氰酸酯反应，生成相应的[N-芳基（芳烷基或烷基）硫代氨基甲酰基]-氨基烷基硫酸盐的水溶性盐。

  DOI：

  10.1002/hlca.19660490124
• 作为产物：
  描述：

  1-(2-hydroxy-ethyl)-3-(4-nitro-phenyl)-thiourea 在 盐酸 作用下， 生成 (4-nitrophenyl)(1,3-thiazolidin-2-yliden)amine
  参考文献：
  名称：

  LXIV的形成和转化的研究。酸，氨基醇基硫脲酸和异硫氰酸酯基：无硫烷基的N-硫代氨基甲酰基化环化分子内分子

  摘要：

  具有伯氨基或仲氨基的氨基烷基硫酸单酯（除了三聚氰胺硫酸单酯除外）在一当量碱的存在下与异硫氰酸酯反应，生成相应的[N-芳基（芳烷基或烷基）硫代氨基甲酰基]-氨基烷基硫酸盐的水溶性盐。

  DOI：

  10.1002/hlca.19660490124

文献信息

• Substituted 2-arylimino heterocycles and compositions containing them, for use as progesterone receptor binding agents
  申请人：Bayer Corporation

  公开号：US06353006B1

  公开（公告）日：2002-03-05

  This invention relates to 2-arylimino heterocycles, including 2-arylimino-1,3-thiazolidines, 2-arylimino-2,3,4,5-tetrahydro-1,3-thiazines, 2-arylimino-1,3-thiazolidin-4-ones, 2-arylimino-1,3-thiazolidin-5-ones, and 2-arylimino-1,3-oxazolidines, and their use in modulating progesterone receptor mediated processes, and pharmaceutical compositions for use in such therapies.

  这项发明涉及2-芳基亚胺杂环化合物，包括2-芳基亚胺-1,3-噻唑啉、2-芳基亚胺-2,3,4,5-四氢-1,3-噻嗪、2-芳基亚胺-1,3-噻唑啉-4-酮、2-芳基亚胺-1,3-噻唑啉-5-酮和2-芳基亚胺-1,3-噁唑啉，以及它们在调节孕激素受体介导的过程中的应用，以及用于这类治疗的药物组合物。
• Selenium-Containing Heterocycles From Isoselenocyanates: Synthesis of1,3-Selenazolidine and Perhydro-1,3-selenazine Derivatives
  作者：Geoffroy L. Sommen、Anthony Linden、Heinz Heimgartner

  DOI：10.1002/ejoc.200500090

  日期：2005.7

  Treatment of ω-halo alkylamines 9 and 10 with aryl and alkyl isoselenocyanates 6a–g in the presence of triethylamine in dichloromethane gave the corresponding 1,3-selenazolidines 11a–g and perhydro-1,3-selenazines 12a–g, respectively, in good to excellent yields. Chemical and spectroscopic evidence for the structures of all new compounds are presented, and in selected examples the molecular structures

  在二氯甲烷中，在三乙胺存在下，用芳基和烷基异硒氰酸酯 6a-g 处理 ω-卤代烷基胺 9 和 10，分别得到相应的 1,3-硒唑烷 11a-g 和全氢-1,3-硒嗪 12a-g。良好的产量。介绍了所有新化合物结构的化学和光谱证据，在选定的例子中，分子结构已通过 X 射线晶体学确定。与异硫氰酸酯的类似反应已用于制备 1,3-噻唑烷和全氢-1,3-噻嗪。(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)
• Substituted 2-arylimino heterocycles and compositions containing them for use as progesterone receptor binding agents
  申请人：——

  公开号：US20030207865A1

  公开（公告）日：2003-11-06

  This invention relates to 2-arylimino heterocycles, including 2-arylimino-1,3-thiazolidines, 2-arylimino-2,3,4,5-tetrahydro-1,3-thiazines, 2-arylimino-1,3-thiazolidin-4-ones, 2-arylimino-1,3-thiazolidin-5-ones, and 2-arylimino-1,3-oxazolidines, and their use in modulating progesterone receptor mediated processes, and pharmaceutical compositions for use in such therapies.

  本发明涉及2-芳基亚胺杂环，包括2-芳基亚胺-1,3-噻唑啉，2-芳基亚胺-2,3,4,5-四氢-1,3-噻嗪，2-芳基亚胺-1,3-噻唑啉-4-酮，2-芳基亚胺-1,3-噻唑啉-5-酮和2-芳基亚胺-1,3-噁唑啉，以及它们在调节孕激素受体介导的过程中的应用，以及用于这种治疗的制药组合物。
• Synthesis and QSAR Studies in 2-(N-aryl-N-aroyl)amino-4,5-dihydrothiazole Derivatives as Potential Antithrombotic Agents
  作者：Anil K. Saxena、Suresh K. Pandey、P. Seth、M.P. Singh、M. Dikshit、A. Carpy

  DOI：10.1016/s0968-0896(01)00082-7

  日期：2001.8

  A series of 2-(N-aryl-N-aroyl)amino-4,5-dihydrothiazole derivatives have been synthesized via cyclocondensation of N-aryl thioureas with 2-bromoethylamine hydrobromide followed by the reaction of the product thus obtained with aroyl chlorides. Title compounds were evaluated for their antithrombotic activity in vivo in mice where one of these compound 29 provided 65% protection as compared to 77% protection offered by the standard Indomethacin. Quantitative Structure-Activity Relationship (QSAR) studies were performed on these compounds using physicochemical (hydrophobic, electronic, steric) parameter as independent and antithrombic activity as dependent parameter, where antithrombotic activity correlated best (r > 0.8) with electronic parameters (F, sigma or mu) having high statistical significance > 99.9% (F-2,F-22 > 15.0; F-2,F-22 alpha :0.001 = 11.0) suggesting that hydrophobic, steric and resonance factors are insignificant in this set of molecules for the activity. (C) 2001 Elsevier Science Ltd. All rights reserved.
• SUBSTITUTED 2-ARYLIMINO HETEROCYCLES AND COMPOSITIONS CONTAINING THEM, FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS
  申请人：Bayer Corporation

  公开号：EP1144396A2

  公开（公告）日：2001-10-17