5-isobutyrylthiophene-2-carboxylic acid | 1161818-34-3

• 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: 5-isobutyrylthiophene-2-carboxylic acid
• 英文别名: 5-(2-Methyl-1-oxopropyl)-2-thiophenecarboxylic acid；5-(2-methylpropanoyl)thiophene-2-carboxylic acid
• CAS: 1161818-34-3
• 化学式: C₉H₁₀O₃S
• 分子量: 198.243
• InChiKey: BQXJAGVJZJRMSR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  82.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-isobutyrylthiophene-2-carboxylic acid 在 ammonium hydroxide 、 碳酸氢铵 、 potassium carbonate 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 氯仿 为溶剂， 反应 26.0h， 生成 5-{5-[4-(3,5-dimethylpyridin-2-yl)piperazine-1-carbonyl]thiophen-2-yl}-5-isopropylimidazolidine-2,4-dione
  参考文献：
  名称：

  EP3321256

  摘要：

  公开号：

文献信息

• NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE
  申请人：Mitsubishi Tanabe Pharma Corporation

  公开号：EP3321256A1

  公开（公告）日：2018-05-16

  Provided is a novel low-molecular-weight compound that suppresses production of induction type MMPs, particularly MMP-9, rather than production of hemostatic type MMP-2. The present invention relates to a compound represented by the following formula (I): wherein each symbol is as described in the DESCRIPTION. The compound has a selective MMP-9 production suppressive action, and is useful as a drug for the prophylaxis and/or treatment of autoimmune diseases such as rheumatoid arthritis and the like, inflammatory bowel diseases (ulcerative colitis, Crohn's disease) or osteoarthritis.

  本发明提供了一种新型低分子量化合物，它能抑制诱导型 MMP（尤其是 MMP-9）的产生，而不是抑制止血型 MMP-2 的产生。本发明涉及一种由下式（I）代表的化合物： 其中各符号如说明书所述。该化合物具有选择性抑制 MMP-9 生成的作用，可作为预防和/或治疗自身免疫性疾病（如类风湿性关节炎等）、炎症性肠病（溃疡性结肠炎、克罗恩病）或骨关节炎的药物。
• Imide derivatives and use thereof as medicine
  申请人：MITSUBISHI TANABE PHARMA CORPORATION

  公开号：US10407408B2

  公开（公告）日：2019-09-10

  Provided is a novel low-molecular-weight compound that suppresses production of induction type MMPs, particularly MMP-9, rather than production of hemostatic type MMP-2. The present invention relates to a compound represented by the following formula (I): wherein each symbol is as described in the DESCRIPTION. The compound has a selective MMP-9 production suppressive action, and is useful as a drug for the prophylaxis and/or treatment of autoimmune diseases such as rheumatoid arthritis and the like, inflammatory bowel diseases (ulcerative colitis, Crohn's disease) or osteoarthritis.

  本发明提供了一种新型低分子量化合物，它能抑制诱导型 MMP（尤其是 MMP-9）的产生，而不是抑制止血型 MMP-2 的产生。本发明涉及一种由下式（I）代表的化合物： 其中各符号如说明书所述。该化合物具有选择性抑制 MMP-9 生成的作用，可作为预防和/或治疗类风湿性关节炎等自身免疫性疾病、炎症性肠病（溃疡性结肠炎、克罗恩病）或骨关节炎的药物。
• Discovery of potent inhibitors of interleukin-2 inducible T-cell kinase (ITK) through structure-based drug design
  作者：Brian N. Cook、Jörg Bentzien、Andre White、Peter A. Nemoto、Ji Wang、Chuk C. Man、Fariba Soleymanzadeh、Hnin Hnin Khine、Mohammed A. Kashem、Stanley Z. Kugler、John P. Wolak、Gregory P. Roth、Stéphane De Lombaert、Steven S. Pullen、Hidenori Takahashi

  DOI：10.1016/j.bmcl.2008.12.028

  日期：2009.2

  Interleukin-2 inducible T-cell kinase (ITK) is a member of the Tec kinase family and is involved with T-cell activation and proliferation. Due to its critical role in acting as a modulator of T-cells, ITK inhibitors could provide a novel route to anti-inflammatory therapy. This work describes the discovery of ITK inhibitors through structure-based design where high-resolution crystal structural information was used to optimize interactions within the kinase specificity pocket of the enzyme to improve both potency and selectivity. (C) 2009 Elsevier Ltd. All rights reserved.
• Heterobicyclic metalloprotease inhibitors
  申请人：Steeneck Christoph

  公开号：US20070155738A1

  公开（公告）日：2007-07-05

  The present invention relates generally to amide group containing pharmaceutical agents, and in particular, to amide containing heterobicyclic metalloprotease inhibitor compounds. More particularly, the present invention provides a new class of heterobicyclic MMP-13 inhibiting and MMP-3 inhibiting compounds, that exhibit an increased potency in relation to currently known MMP-13 and MMP-3 inhibitors.
• Heterobicyclic Metalloprotease Inhibitors
  申请人：STEENECK Christoph

  公开号：US20090312312A1

  公开（公告）日：2009-12-17

  The present invention relates generally to amide group containing pharmaceutical agents, and in particular, to amide containing heterobicyclic metalloprotease inhibitor compounds. More particularly, the present invention provides a new class of heterobicyclic MMP-13 inhibiting and MMP-3 inhibiting compounds, that exhibit an increased potency in relation to currently known MMP-13 and MMP-3 inhibitors.