benzyl (4S,6S)-6-(aminocarbonyl)-4-isopropyl-1,4,6,7-tetrahydro-5H-imidazo-[4,5-c]pyridine-5-carboxylate | 1218913-55-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: benzyl (4S,6S)-6-(aminocarbonyl)-4-isopropyl-1,4,6,7-tetrahydro-5H-imidazo-[4,5-c]pyridine-5-carboxylate
• 英文别名: US10399973, Example 11；benzyl (4S,6S)-6-carbamoyl-4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
• CAS: 1218913-55-3
• 化学式: C₁₈H₂₂N₄O₃
• 分子量: 342.398
• InChiKey: XDPADPUVPMVMEV-HOCLYGCPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  101
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (4S,6S)-5-[(benzyloxy)carbonyl]-4-isopropyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid 在 氯化铵 、 1-羟基苯并三唑 、 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 72.0h， 以28.7%的产率得到benzyl (4S,6S)-6-(aminocarbonyl)-4-isopropyl-1,4,6,7-tetrahydro-5H-imidazo-[4,5-c]pyridine-5-carboxylate
  参考文献：
  名称：

  [EN] NEW COMPOUNDS I
  [FR] COMPOSÉS INÉDITS I

  摘要：

  本发明涉及式(I)的化合物及其药用可接受的盐、溶剂合物、水合物、几何异构体、互变异构体、光学异构体或N-氧化物，这些化合物是SSAO活性的抑制剂。该发明还涉及包含这些化合物的药物组合物，以及利用这些化合物治疗抑制SSAO活性有益的医疗状况，如炎症性疾病和免疫紊乱。

  公开号：

  WO2010031789A1

文献信息

• [EN] VAP-1 INHIBITORS FOR TREATING PAIN<br/>[FR] INHIBITEURS DE VAP-1 POUR LE TRAITEMENT DE LA DOULEUR
  申请人：PROXIMAGEN LTD

  公开号：WO2017098236A1

  公开（公告）日：2017-06-15

  This invention relates to the use of inhibitors of VAP-1/SSAO activity, and pharmaceutical compositions comprising the same, for the treatment of pain; and to a combined preparation comprising an inhibitor of VAP-1/SSAO activity and a steroid, and the use of the combined preparation in medicine, particularly for treatment of pain.

  这项发明涉及使用VAP-1/SSAO活性抑制剂以及包含相同成分的药物组合物，用于治疗疼痛；以及包含VAP-1/SSAO活性抑制剂和类固醇的联合制剂，以及在医学中使用该联合制剂，特别是用于治疗疼痛。
• NEW COMPOUNDS I
  申请人：Savory Edward Daniel

  公开号：US20110207746A1

  公开（公告）日：2011-08-25

  The present invention relates to compounds of formula (I), and their pharmaceutically acceptable salts, solvates, hydrates, geometrical isomers, tautomers, optical isomers or N-oxides, which are inhibitors of SSAO activity. The invention further relates to pharmaceutical compositions comprising these compounds and to the use of these compounds for the treatment of medical conditions wherein inhibition of SSAO activity is beneficial, such as inflammatory diseases and immune disorders.

  本发明涉及公式（I）的化合物及其药学上可接受的盐、溶剂合物、水合物、几何异构体、互变异构体、光学异构体或N-氧化物，它们是SSAO活性的抑制剂。本发明进一步涉及包含这些化合物的制药组合物，以及利用这些化合物治疗抑制SSAO活性有益的医疗状况，例如炎症性疾病和免疫障碍。
• New Compounds I
  申请人：Savory Edward Daniel

  公开号：US20120302583A1

  公开（公告）日：2012-11-29

  The present invention relates to a method for the treatment or prevention of inflammation, an inflammatory disease, an immune or an autoimmune disorder, which comprises administering to a mammal in need of such treatment an effective amount of a compound compound of formula (I), and their pharmaceutically acceptable salts, solvates, hydrates, geometrical isomers, tautomers, optical isomers or N-oxides, which are inhibitors of SSAO activity.

  本发明涉及一种治疗或预防炎症、炎症性疾病、免疫或自身免疫性障碍的方法，包括向需要这种治疗的哺乳动物施用式(I)的化合物的有效量，以及它们的药学上可接受的盐、溶剂合物、水合物、几何异构体、互变异构体、光学异构体或N-氧化物，它们是SSAO活性的抑制剂。
• VAP-1 INHIBITORS FOR TREATING PAIN
  申请人：BenevolentAI Cambridge Limited

  公开号：EP3777846A1

  公开（公告）日：2021-02-17

  This invention relates to the use of inhibitors of VAP-1/SSAO activity, and pharmaceutical compositions comprising the same, for the treatment of pain; and to a combined preparation comprising an inhibitor of VAP-1/SSAO activity and a steroid, and the use of the combined preparation in medicine, particularly for treatment of pain.

  本发明涉及 VAP-1/SSAO 活性抑制剂和包含 VAP-1/SSAO 活性抑制剂的药物组合物在治疗疼痛中的应用；还涉及一种包含 VAP-1/SSAO 活性抑制剂和类固醇的组合制剂，以及该组合制剂在医学中的应用，特别是在治疗疼痛中的应用。
• Compounds I
  申请人：BENEVOLENTAI CAMBRIDGE LIMITED

  公开号：US10399973B2

  公开（公告）日：2019-09-03

  The present invention relates to compounds of formula (I), and their pharmaceutically acceptable salts, solvates, hydrates, geometrical isomers, tautomers, optical isomers or N-oxides, which are inhibitors of SSAO activity. The invention further relates to pharmaceutical compositions comprising these compounds and to the use of these compounds for the treatment of medical conditions wherein inhibition of SSAO activity is beneficial, such as inflammatory diseases and immune disorders.

  本发明涉及式（I）化合物、 及其药学上可接受的盐、溶液剂、水合物、几何异构体、同分异构体、光学异构体或 N-氧化物，它们是 SSAO 活性的抑制剂。本发明进一步涉及包含这些化合物的药物组合物，以及这些化合物用于治疗对抑制 SSAO 活性有益的病症，如炎症性疾病和免疫紊乱。