ethyl 3-{[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]amino}-1H-pyrrole-2-carboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: ethyl 3-{[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]amino}-1H-pyrrole-2-carboxylate
• 英文别名: ethyl 3-[(4,5-dimethyl-1H-benzimidazol-2-yl)methylamino]-1H-pyrrole-2-carboxylate
• 化学式: C₁₇H₂₀N₄O₂
• 分子量: 312.371
• InChiKey: KYDSXZPXYGNWCR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  82.8
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl 3-{[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]amino}-1H-pyrrole-2-carboxylate 、 苯甲酰基异硫氰酸酯 以 二氯甲烷 为溶剂， 反应 1.0h， 生成
  参考文献：
  名称：

  WO2006/62465

  摘要：

  公开号：
• 作为产物：
  描述：

  4,5-di methyl-1H-benzimidazole-2-carbaldehyde 、 3-氨基-1H-吡咯-2-甲酸乙酯 在 溶剂黄146 sodium cyanoborohydride 作用下， 以 甲醇 为溶剂， 反应 16.0h， 生成 ethyl 3-{[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]amino}-1H-pyrrole-2-carboxylate 、
  参考文献：
  名称：

  WO2006/62465

  摘要：

  公开号：

文献信息

• Novel Pyrrolo [3,2-D]Pyrimidin-4-One Derivatives And Their Use In Therapy
  申请人：Bogevig Anders

  公开号：US20080221136A1

  公开（公告）日：2008-09-11

  There are disclosed novel compounds of formula (I) wherein R 1 , R 12 , L, X and Y are as defined in the specification, and pharmaceutically acceptable salts thereof; together with processes for their preparation, compositions containing them and their use in therapy. The compounds are inhibitors of the enzyme MPO and are thereby particularly useful in the treatment or prophylaxis of neuroinflammatory disorders, cardiovascular disorders and respiratory disorders.

  公开了式（I）的新化合物，其中R1、R12、L、X和Y如规范中所定义，并且其药学上可接受的盐；以及它们的制备方法、含有它们的组合物以及它们在治疗中的用途。这些化合物是MPO酶的抑制剂，因此在神经炎症性疾病、心血管疾病和呼吸系统疾病的治疗或预防中特别有用。
• NOVEL PYRROLO [3, 2-D] PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THERAPY
  申请人：BÖGEVIG Anders

  公开号：US20110059996A1

  公开（公告）日：2011-03-10

  There are disclosed novel compounds of formula (I) wherein R 1 , R 12 , L, X and Y are as defined in the specification, and pharmaceutically acceptable salts thereof; together with processes for their preparation, compositions containing them and their use in therapy. The compounds are inhibitors of the enzyme MPO and are thereby particularly useful in the treatment or prophylaxis of neuroinflammatory disorders, cardiovascular disorders and respiratory disorders.

  公开了一种式子为（I）的新化合物，其中R1，R12，L，X和Y如规范中所定义，并且其药学上可接受的盐；以及它们的制备方法，含有它们的组合物以及它们在治疗中的用途。这些化合物是MPO酶的抑制剂，因此特别适用于治疗或预防神经炎症性疾病，心血管疾病和呼吸系统疾病。
• Pyrrolo [3,2-d]pyrimidin-4-one derivatives and their use in therapy
  申请人：AstraZeneca AB

  公开号：US07829707B2

  公开（公告）日：2010-11-09

  There are disclosed novel compounds of formula (I) wherein R1, R12, L, X and Y are as defined in the specification, and pharmaceutically acceptable salts thereof; together with processes for their preparation, compositions containing them and their use in therapy. The compounds are inhibitors of the enzyme MPO and are thereby particularly useful in the treatment or prophylaxis of neuroinflammatory disorders, cardiovascular disorders and respiratory disorders.

  本发明公开了一种新的化合物，其化学式为（I），其中R1、R12、L、X和Y的定义如规范中所述，并且其药学上可接受的盐；以及它们的制备方法、含有它们的组合物和它们在治疗中的用途。这些化合物是MPO酶的抑制剂，因此在治疗或预防神经炎性疾病、心血管疾病和呼吸系统疾病方面特别有用。
• Pyrrolo[3,2-D]pyrimidin-4-one derivatives and their use in therapy
  申请人：Bögevig Anders

  公开号：US08859568B2

  公开（公告）日：2014-10-14

  There are disclosed novel compounds of formula (I) wherein R1, R12, L, X and Y are as defined in the specification, and pharmaceutically acceptable salts thereof; together with processes for their preparation, compositions containing them and their use in therapy. The compounds are inhibitors of the enzyme MPO and are thereby particularly useful in the treatment or prophylaxis of neuroinflammatory disorders, cardiovascular disorders and respiratory disorders.

  本发明公开了一种新的化合物，其化学式为(I)，其中R1、R12、L、X和Y的定义如规范中所述，以及其医药上可接受的盐；以及它们的制备方法、含有它们的组合物和它们在治疗中的用途。这些化合物是MPO酶的抑制剂，因此在治疗或预防神经炎症性疾病、心血管疾病和呼吸系统疾病方面特别有用。
• PYRROLO[3,2-D]PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THERAPY
  申请人：ASTRAZENECA AB

  公开号：US20150099769A1

  公开（公告）日：2015-04-09

  There are disclosed novel compounds of formula (I) wherein R 1 , R 12 , L, X and Y are as defined in the specification, and pharmaceutically acceptable salts thereof; together with processes for their preparation, compositions containing them and their use in therapy. The compounds are inhibitors of the enzyme MPO and are thereby particularly useful in the treatment or prophylaxis of neuroinflammatory disorders, cardiovascular disorders and respiratory disorders.

  公开了式（I）的新化合物，其中R1，R12，L，X和Y如规范中所定义，并且其药学上可接受的盐；以及它们的制备方法，含有它们的组合物以及它们在治疗中的用途。这些化合物是MPO酶的抑制剂，因此在治疗或预防神经炎症性疾病、心血管疾病和呼吸系统疾病方面特别有用。