3-[(5-fluoro-1H-indol-2-yl)methyl]-2-thioxo-1,2,3,7-tetrahydro-6H-purin-6-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 3-[(5-fluoro-1H-indol-2-yl)methyl]-2-thioxo-1,2,3,7-tetrahydro-6H-purin-6-one
• 英文别名: 3-[(5-fluoro-1H-indol-2-yl)methyl]-2-sulfanylidene-7H-purin-6-one
• 化学式: C₁₄H₁₀FN₅OS
• 分子量: 315.331
• InChiKey: NLEUINUWQPGXHI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  22
• 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：
  109
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-(((5-fluoro-1H-indol-2-yl)methyl)amino)-1H-imidazole-5-carboxamide 、 苯甲酰基异硫氰酸酯 在 氨 作用下， 以 甲醇 为溶剂， 反应 2.0h， 以8.5%的产率得到3-[(5-fluoro-1H-indol-2-yl)methyl]-2-thioxo-1,2,3,7-tetrahydro-6H-purin-6-one
  参考文献：
  名称：

  WO2007/120098

  摘要：

  公开号：

文献信息

• Thioxanthine Derivatives and Their Use as Inhibitors of MPO
  申请人：Tiden Anna-Karin

  公开号：US20090149475A1

  公开（公告）日：2009-06-11

  There are disclosed novel compounds of Formula (I) wherein L, R 1 , 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, cardio- and cerebrovascular atherosclerotic disorders and peripheral artery disease and respiratory disorders.

  本发明公开了新的化合物式（I），其中L、R1、X和Y如规范中所定义，并且其药学上可接受的盐；以及其制备方法、含有它们的组合物和它们在治疗中的应用。这些化合物是MPO酶的抑制剂，因此在神经炎症性疾病、心血管和脑血管动脉粥样硬化性疾病、周围动脉疾病和呼吸系统疾病的治疗或预防中特别有用。
• 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。
• THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO
  申请人：AstraZeneca AB

  公开号：EP2010535A1

  公开（公告）日：2009-01-07
• MIPO INHIBITORS FOR THE TREATMENT OF HUNTINGTON'S DISEASE AND MULTIPLE SYSTEM ATROPHY
  申请人：AstraZeneca AB

  公开号：EP2200616A1

  公开（公告）日：2010-06-30
• New Combination 937
  申请人：Ahlberg Gabrielle

  公开号：US20090053176A1

  公开（公告）日：2009-02-26

  The present invention related to a combination of (a) a compound which is a MPO inhibitor or a pharmaceutically acceptable salt thereof and (b) a compound or a pharmaceutically acceptable salt thereof, which is used in the treatment and/or prevention of PD or Multiple Sclerosis. The invention further relates to pharmaceutical compositions comprising said combination and to methods of treating Neuroinflammatory and Neurodegenerative Disorder(s), such as PD and Multiple Sclerosis in mammals by administrating said combination. The invention further relates to a kit comprising the combination and use of said kit in treatment of Neuroinflammatory Disorder(s).