1-(1H-indol-3-ylmethyl)-2-thioxo-1,2,3,5-tetrahydro-pyrrolo[3,2-d]pyrimidin-4-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 1-(1H-indol-3-ylmethyl)-2-thioxo-1,2,3,5-tetrahydro-pyrrolo[3,2-d]pyrimidin-4-one
• 英文别名: 1-(1H-indol-3-ylmethyl)-2-sulfanylidene-5H-pyrrolo[3,2-d]pyrimidin-4-one
• 化学式: C₁₅H₁₂N₄OS
• 分子量: 296.352
• InChiKey: WHRSXLDXDSQADR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  96
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  ethyl 3-[(1H-indol-3-ylmethyl)amino]-1H-pyrrole-2-carboxylate 、 苯甲酰基异硫氰酸酯 在 甲醇 氨 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以obtaining the title compound (0.030 g, 21%) as a solid的产率得到1-(1H-indol-3-ylmethyl)-2-thioxo-1,2,3,5-tetrahydro-pyrrolo[3,2-d]pyrimidin-4-one
  参考文献：
  名称：

  Novel Pyrrolo [3,2-D]Pyrimidin-4-One Derivatives And Their Use In Therapy

  摘要：

  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。

  公开号：

  US20080221136A1

文献信息

• 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。
• Use of myeloperoxidase (MPO) inhibitors or pharmaceutically acceptable salts thereof to treat multiple system atrophy (MSA) 938
  申请人：ASTRAZENECA AB

  公开号：US10772890B2

  公开（公告）日：2020-09-15

  The present invention relates to the use of myeloperoxidase inhibitors (MPO) inhibitors for the treatment of multiple system atrophy. The present invention also relates to the use of MPO inhibitors for the treatment of Huntington's disease. The present invention also relates to the use of MPO inhibitors for neuroprotection.

  本发明涉及使用髓过氧化物酶抑制剂（MPO）抑制剂治疗多系统萎缩。本发明还涉及使用 MPO 抑制剂治疗亨廷顿氏病。本发明还涉及使用 MPO 抑制剂进行神经保护。