3-[3-((N-formyl-N-methyl)aminomethyl)phenyl]-5-isobutylthiophene-2-(N-butoxycarbonyl)sulfonamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: 3-[3-((N-formyl-N-methyl)aminomethyl)phenyl]-5-isobutylthiophene-2-(N-butoxycarbonyl)sulfonamide
• 英文别名: N-butyloxycarbonyl-3-[3-(formyl-N-methylaminomethyl)phenyl]-5-iso-butylthiophene-2-sulfonamide；butyl N-[3-[3-[[formyl(methyl)amino]methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate
• 化学式: C₂₂H₃₀N₂O₅S₂
• 分子量: 466.623
• InChiKey: FBDFFCSEOFMMSE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  31
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  129
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  氯甲酸丁酯 在 三氟乙酸 、 三乙胺 作用下， 以 苯甲醚 、 二氯甲烷 为溶剂， 反应 2.0h， 生成 3-[3-((N-formyl-N-methyl)aminomethyl)phenyl]-5-isobutylthiophene-2-(N-butoxycarbonyl)sulfonamide
  参考文献：
  名称：

  WO2006/109058

  摘要：

  公开号：

文献信息

• Bicyclic Angiotensin II Agonists
  申请人：Alterman Mathias

  公开号：US20090069382A1

  公开（公告）日：2009-03-12

  There is provided a compound of formula I, wherein R 1a , R 1b , X, Y 1 , Y 2 , Y 3 , Y 4 , Z 1 , Z 2 , R 2 and R 3 have meanings given in the description, and pharmaceutically-acceptable salts thereof, which compounds are useful as selective agonists of the AT2 receptor, and thus, in particular, in the treatment of inter alia gastrointestinal conditions, such as dyspepsia, IBS and MOF, and cardiovascular disorders.

  提供了一个式子为I的化合物，其中R1a、R1b、X、Y1、Y2、Y3、Y4、Z1、Z2、R2和R3在描述中给出了它们的含义，以及其药物可接受的盐。这些化合物在AT2受体选择性激动剂中有用，因此特别适用于治疗胃肠道疾病，如消化不良、肠易激综合症和多器官功能障碍综合症等，以及心血管疾病。
• From the First Selective Non-Peptide AT₂ Receptor Agonist to Structurally Related Antagonists
  作者：A. M. S. Murugaiah、Xiongyu Wu、Charlotta Wallinder、A. K. Mahalingam、Yiqian Wan、Christian Sköld、Milad Botros、Marie-Odile Guimond、Advait Joshi、Fred Nyberg、Nicole Gallo-Payet、Anders Hallberg、Mathias Alterman

  DOI：10.1021/jm2015099

  日期：2012.3.8

  A para substitution pattern of the phenyl ring is a characteristic feature of the first reported selective AT(2) receptor agonist M024/C21 (1) and all the nonpeptidic AT(2) receptor agonists described so far. Two series of compounds structurally related to 1 but with a meta substitution pattern have now been synthesized and biologically evaluated for their affinity to the AT(1) and AT(2) receptors. A high AT(2)/AT(1) receptor selectivity was obtained with all 41 compounds synthesized, and the majority exhibited K-i ranging from 2 to 100 nM. Five compounds were evaluated for their functional activity at the AT(2) receptor, applying a neurite outgrowth assay in NG108-15 cells.. Notably, four of the five compounds, with representatives from both series, acted as potent AT(2) receptor antagonists. These compounds were found to be considerably more effective than PD 123,319, the standard AT(2) receptor antagonist used in most laboratories. No AT(2) receptor antagonists were previously reported among the derivatives with a para substitution pattern. Hence, by a minor modification of the agonist 1 it could be transformed into the antagonist, compound 38. These compounds should serve as valuable tools in the assessment of the role of the AT(2) receptor in more complex physiological models.
• NEW BICYCLIC ANGIOTENSIN II AGONISTS
  申请人：Vicore Pharma AB

  公开号：EP1869009B1

  公开（公告）日：2016-06-01
• US8357710B2
  申请人：——

  公开号：US8357710B2

  公开（公告）日：2013-01-22
• WO2006/109058
  申请人：——

  公开号：——

  公开（公告）日：——