2-amino-5-(1,3-benzodioxol-5-yl)pyrrole-3-carboxamide | 1210038-61-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: 2-amino-5-(1,3-benzodioxol-5-yl)pyrrole-3-carboxamide
• 英文别名: 2-amino-5-(1,3-benzodioxol-5-yl)-1H-pyrrole-3-carboxamide
• CAS: 1210038-61-1
• 化学式: C₁₂H₁₁N₃O₃
• 分子量: 245.238
• InChiKey: HZKKRHMTKGWVTN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  103
• 氢给体数：
  3
• 氢受体数：
  4

文献信息

• NOVEL PYRROLE DERIVATIVE HAVING, AS SUBSTITUENTS, UREIDO GROUP, AMINOCARBONLY GROUP AND BICYCLIC GROUP WHICH MAY HAVE SUBSTITUENT
  申请人：Kawashima Kenji

  公开号：US20110136794A1

  公开（公告）日：2011-06-09

  A compound represented by the following formula (1) or a salt thereof: The compound has an inhibitory activity on the production of interleukin-6, and is therefore useful as a preventive and/or therapeutic agent for a disease associated with interleukin-6, ocular inflammatory diseases and the like. In the formula, R 1 represents a halogen atom, a hydrogen atom, a lower alkyl group which may have a substituent, a formyl group, or a lower alkylcarbonyl group which may have a substituent, R 2 represents a bicyclic hydrocarbon group which may have a substituent or a bicyclic heterocyclic group which may have a substituent, R 3 represents a hydrogen atom, a lower alkyl group which may have a substituent, an aryl group which may have a substituent, or an acyl group.

  以下式子（1）所表示的化合物或其盐：该化合物具有抑制白细胞介素-6产生的活性，因此可用作预防和/或治疗与白细胞介素-6有关的疾病，如眼部炎症性疾病等的药物。在该式中，R1表示卤素原子、氢原子、可能具有取代基的较低烷基、甲酰基或可能具有取代基的较低烷基羰基基团，R2表示可能具有取代基的双环烃基团或双环杂环基团，R3表示氢原子、可能具有取代基的较低烷基、可能具有取代基的芳基或酰基基团。
• NOVEL PYRROLE DERIVATIVE HAVING, AS SUBSTITUENTS, UREIDE GROUP, AMINOCARBONYL GROUP AND BICYCLIC GROUP WHICH MAY HAVE SUBSTITUENT
  申请人：Santen Pharmaceutical Co., Ltd

  公开号：EP2319831A1

  公开（公告）日：2011-05-11

  Disclose is a novel pyrrole derivative having, as substituents, a ureido group, an aminocarbonyl group and a bicyclic group which may have a substituent, or a salt of the derivative. A compound represented by general formula (1) or a salt thereof has an inhibitory activity on the production of interleukin-6, and is therefore useful as a preventive and/or therapeutic agent for a disease associated with interleukin-6, ocular inflammatory diseases and the like. In the formula, R1 represents a halogen atom, a hydrogen atom, a lower alkyl group which may have a substituent, a formyl group, or a lower alkylcarbonyl group which may have a substituent, R2 represents a bicyclic hydrocarbon group which may have a substituent or a bicyclic heterocyclic group which may have a substituent, R3 represents a hydrogen atom, a lower alkyl group which may have a substituent, an aryl group which may have a substituent, or an acyl group.

  本发明公开了一种新型吡咯衍生物，该衍生物具有脲基、氨基羰基和可具有取代基的双环基，或该衍生物的盐。通式（1）所代表的化合物或其盐具有抑制白细胞介素-6 生成的活性，因此可作为白细胞介素-6 相关疾病、眼部炎症等的预防和/或治疗剂。式中，R1 代表卤素原子、氢原子、可能具有取代基的低级烷基、甲酰基或可能具有取代基的低级烷基羰基，R2 代表可能具有取代基的双环烃基或可能具有取代基的双环杂环基，R3 代表氢原子、可能具有取代基的低级烷基、可能具有取代基的芳基或酰基。
• US8088817B2
  申请人：——

  公开号：US8088817B2

  公开（公告）日：2012-01-03