4-(2-methoxycarbonyl-ethylsulfamoyl)-benzoic acid | 1053128-38-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 4-(2-methoxycarbonyl-ethylsulfamoyl)-benzoic acid
• 英文别名: 4-[(3-methoxy-3-oxopropyl)sulfamoyl]benzoic acid
• CAS: 1053128-38-3
• 化学式: C₁₁H₁₃NO₆S
• mdl: MFCD12493985
• 分子量: 287.293
• InChiKey: KNADDCPTVZSGSW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  19
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.272
• 拓扑面积：
  118
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4-(2-methoxycarbonyl-ethylsulfamoyl)-benzoic acid 在 草酰氯 、 三苯基膦 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 5.0h， 生成 methyl3-(4-(5-(7-(diethylamino)-2-oxo-2H-chromen-3-yl)oxazol-2-yl)phenylsulfonamido)propanoate
  参考文献：
  名称：

  Synthesis and fluorescence properties of environment-sensitive 7-(diethylamino)coumarin derivatives

  摘要：

  By linking 7-(diethylamino)coumarin and different aromatic groups via an oxazole moiety, a small series of new environment-sensitive fluorophores have been synthesized. They display varying degrees of environment-sensitivity, depending on the aromatic group present on the oxazole ring. Additionally, these coumarin-based fluorophores show considerably better photostability compared to the nitrobenzoxadiazole fluorophore, and offer a good starting point for the further development of these fluorophores into environment-sensitive membrane probes or for other applications requiring sensitivity to the environment. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.09.019
• 作为产物：
  描述：

  4-(氯磺酰)苯甲酸 、 3-氨基丙酸甲酯盐酸盐 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 生成 4-(2-methoxycarbonyl-ethylsulfamoyl)-benzoic acid
  参考文献：
  名称：

  WO2007/85451

  摘要：

  公开号：

文献信息

• First insight into structure-activity relationships of selective meprin β inhibitors
  作者：Daniel Ramsbeck、Antje Hamann、Dagmar Schlenzig、Stephan Schilling、Mirko Buchholz

  DOI：10.1016/j.bmcl.2017.04.012

  日期：2017.6

  The astacin proteases meprin α and β are emerging drug targets for treatment of disorders such as kidney failure, fibrosis or inflammatory bowel disease. However, there are only few inhibitors of both proteases reported to date. Starting from NNGH as lead structure, a detailed elaboration of the structure-activity relationship of meprin β inhibitors was performed, leading to compounds with activities

  Astacin蛋白酶meprinα和β是用于治疗诸如肾衰竭，纤维化或炎性肠病等疾病的新兴药物靶标。但是，迄今报道的两种蛋白酶的抑制剂很少。从NNGH作为先导结构开始，对meprinβ抑制剂的构效关系进行了详细的阐述，从而得到了具有较低纳摩尔范围活性的化合物。考虑到meprinβ对P1'位置的酸性残基的偏爱，对化合物进行了优化。与其他结构相关的金属蛋白酶（如MMP-2或ADAM10）相比，酸性修饰诱导出有效的抑制作用和> 100倍的选择性。
• Reverse isoxazoles
  申请人：Novartis AG

  公开号：US07799812B2

  公开（公告）日：2010-09-21

  The present invention relates to polycyclic compounds, processes for their production, their use as pharmaceuticals and to pharmaceutical compositions comprising them.

  本发明涉及多环化合物，其制备过程，它们作为药物的用途以及包含它们的药物组合物。
• Reverse Isoxazoles
  申请人：Albert Rainer

  公开号：US20090137636A1

  公开（公告）日：2009-05-28

  The present invention relates to polycyclic compounds, processes for their production, their use as pharmaceuticals and to pharmaceutical compositions comprising them.

  本发明涉及多环化合物，其制备过程，其作为药物的用途以及包含它们的药物组合物。
• 3,5-di(aryl or heteroaryl)isoxazoles and 1,2,4-oxadiazoles as S1P1 receptor agonists, immunosuppresssive and anti-inflammatory agents
  申请人：Novartis AG

  公开号：EP2233473A1

  公开（公告）日：2010-09-29

  The present invention relates to polycyclic compounds, processes for their production, their use as pharmaceuticals and to pharmaceutical compositions comprising them. X is -n= or -CH=; ring A is phenyl or pyridyl; R1 is phenyl substituted by both haloalkyl and cycloalkyl.

  本发明涉及多环化合物、多环化合物的生产工艺、多环化合物的药物用途以及包含多环化合物的药物组合物。 X是-n=或-CH=；环A是苯基或吡啶基；R1是被卤代烷基和环烷基取代的苯基。
• 3,5-DI(ARYL OR HETEROARYL)ISOXAZOLES AND 1,2,4-OXADIAZOLES AS S1P1 RECEPTOR AGONISTS, IMMUNOSUPPRESSSIVE AND ANTI-INFLAMMATORY AGENTS
  申请人：Novartis AG

  公开号：EP1981858B1

  公开（公告）日：2010-06-16