2-Aminocarbonylamino-5-(4-ethoxycarbonylphenyl) pyrrole-3-carboxamide | 1052078-72-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 2-Aminocarbonylamino-5-(4-ethoxycarbonylphenyl) pyrrole-3-carboxamide
• 英文别名: 2-Aminocarbonylamino-5-(4-ethoxycarbonylphenyl)pyrrole-3-carboxamide；ethyl 4-[4-carbamoyl-5-(carbamoylamino)-1H-pyrrol-2-yl]benzoate
• CAS: 1052078-72-4
• 化学式: C₁₅H₁₆N₄O₄
• 分子量: 316.316
• InChiKey: YYOYCLPLUYOJOS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  140
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-Aminocarbonylamino-5-(4-ethoxycarbonylphenyl) pyrrole-3-carboxamide 在 二异丁基氢化铝 、 水 作用下， 以 四氢呋喃 、 甲苯 、 甲醇 为溶剂， 反应 4.0h， 以66%的产率得到2-aminocarbonylamino-5-(4-hydroxymethylphenyl)pyrrole-3-carboxamide
  参考文献：
  名称：

  NOVEL PYRROLE DERIVATIVE HAVING UREIDE GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS

  摘要：

  公开号：

  EP2116530B1

文献信息

• NOVEL PYRROLE DERIVATIVE HAVING UREIDO GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS
  申请人：Kawashima Kenji

  公开号：US20100099675A1

  公开（公告）日：2010-04-22

  Objects of the present invention are to study on the synthesis of a novel pyrrole derivative having a ureido group and an aminocarbonyl group as substituents or a salt thereof, to find a pharmacological effect of the derivative or a salt thereof, and to find a medicinal agent which has a prophylactic and/or therapeutic effect on a retinal disease or the like through oral administration. A compound represented by the general formula (1) or a salt thereof has an inhibitory activity against the production of interleukin-6 and/or an inhibitory effect on choroidal neovascularization, and is therefore useful as a prophylactic and/or therapeutic agent for a disease associated with interleukin-6, an ocular inflammatory disease and/or a retinal disease. In the formula, the ring A represents a benzene ring or the like; R 1 represents a halogen atom, a hydrogen atom, a lower alkyl group or the like; R 2 represents a halogen atom, a lower alkyl group which may have a substituent, a lower alkenyl group, a lower alkynyl group which may have a substituent, a lower cycloalkyl group, an aryl group, a hydroxy group, a lower alkoxy group which may have a substituent or the like; and n represents 0, 1, 2, 3 or the like.

  本发明的目的是研究合成一种具有脲基和氨基甲酰基基团或其盐的新型吡咯衍生物，发现该衍生物或其盐的药理作用，并通过口服寻找具有预防和/或治疗视网膜疾病或类似疾病的药物。通式（1）表示的化合物或其盐具有抑制白细胞介素-6的产生和/或抑制脉络膜新生血管形成的活性，因此可用作预防和/或治疗与白细胞介素-6有关的疾病、眼部炎症性疾病和/或视网膜疾病的药物。在该式中，环A表示苯环或类似物；R1表示卤素原子、氢原子、低碳基或类似物；R2表示卤素原子、可带取代基的低碳基、低烯基、可带取代基的低炔基、低环烷基、芳基、羟基、可带取代基的低烷氧基或类似物；n表示0、1、2、3或类似物。
• Pyrrole derivative having ureido group and aminocarbonyl group as substituents
  申请人：Santen Pharmaceutical Co., Ltd.

  公开号：US07977371B2

  公开（公告）日：2011-07-12

  Objects of the present invention are to study on the synthesis of a novel pyrrole derivative having a ureido group and an aminocarbonyl group as substituents or a salt thereof, to find a pharmacological effect of the derivative or a salt thereof, and to find a medicinal agent which has a prophylactic and/or therapeutic effect on a retinal disease or the like through oral administration. A compound represented by the general formula (1) or a salt thereof has an inhibitory activity against the production of interleukin-6 and/or an inhibitory effect on choroidal neovascularization, and is therefore useful as a prophylactic and/or therapeutic agent for a disease associated with interleukin-6, an ocular inflammatory disease and/or a retinal disease. In the formula, the ring A represents a benzene ring or the like; R1 represents a halogen atom, a hydrogen atom, a lower alkyl group or the like; R2 represents a halogen atom, a lower alkyl group which may have a substituent, a lower alkenyl group, a lower alkynyl group which may have a substituent, a lower cycloalkyl group, an aryl group, a hydroxy group, a lower alkoxy group which may have a substituent or the like; and n represents 0, 1, 2, 3 or the like.

  本发明的目的是研究合成一种新的吡咯衍生物，其具有尿素基团和氨基羰基团作为取代基或其盐，寻找该衍生物或其盐的药理作用，并通过口服寻找具有预防和/或治疗视网膜疾病或类似疾病的药物。通式（1）表示的化合物或其盐具有抑制白细胞介素-6的产生和/或对脉络膜新生血管的抑制作用，因此可用作预防和/或治疗与白细胞介素-6相关的疾病、眼部炎症性疾病和/或视网膜疾病的药物。在该式中，环A表示苯环或类似物；R1表示卤素原子、氢原子、低碳基或类似物；R2表示卤素原子、可能具有取代基的低碳基、低烯基基团、可能具有取代基的低炔基基团、低环烷基、芳基、羟基、可能具有取代基的低烷氧基或类似物；n表示0、1、2、3或类似物。
• US7977371B2
  申请人：——

  公开号：US7977371B2

  公开（公告）日：2011-07-12
• NOVEL PYRROLE DERIVATIVE HAVING UREIDE GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS
  申请人：Santen Pharmaceutical Co., Ltd

  公开号：EP2116530B1

  公开（公告）日：2012-11-14