4,5,6,7-四氢-2-甲基-2H-吲唑-5-胺 | 612820-69-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 4,5,6,7-四氢-2-甲基-2H-吲唑-5-胺
• 英文名称: 2-Methyl-4,5,6,7-tetrahydro-2H-indazol-5-ylamine
• 英文别名: 2-Methyl-4,5,6,7-tetrahydro-2H-indazol-5-amine；2-methyl-4,5,6,7-tetrahydroindazol-5-amine
• CAS: 612820-69-6
• 化学式: C₈H₁₃N₃
• 分子量: 151.211
• InChiKey: XPDJVFIJEUVYRF-UHFFFAOYSA-N

物化性质

• 沸点：
  286℃
• 密度：
  1.30
• 闪点：
  127℃

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  43.8
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P312,P302+P352,P304+P340,P305+P351+P338,P330,P332+P313,P337+P313,P362,P403+P233,P405,P501
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  [3-[(苄基磺酰基)氨基]-6-甲基-2-氧代-1,2-二氢吡啶基]乙酸 、 4,5,6,7-四氢-2-甲基-2H-吲唑-5-胺 在 N-甲基吗啉 、 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 生成 2-(6-Methyl-2-oxo-3-phenylmethanesulfonylamino-2H-pyridin-1-yl)-N-(2-methyl-4,5,6,7-tetrahydro-2H-indazol-5-yl)-acetamide
  参考文献：
  名称：

  Selective 3-Amino-2-pyridinone acetamide thrombin inhibitors incorporating weakly basic partially saturated heterobicyclic P1-Arginine mimetics

  摘要：

  Novel, highly selective and potent thrombin inhibitors were identified as a result of combing the 3-benzylsulfonylamino-2-pyridinone acetamide P-2-P-3 surrogate with weakly basic partially saturated heterobicyclic P-1-arginine mimetics 1-8. The design, synthesis. biological activity, and the binding modes of non-covalent thrombin inhibitors featuring P-1-4,5,6,7-tetrahydroindazole, 5,6,7,8-tetrahydroquinazoline, and 4,5,6,7-tetrahydrobenzothiazole moieties are described. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00717-0

文献信息

• Thrombin inhibitors
  申请人：Marsic Peterlin Lucija

  公开号：US20050165034A1

  公开（公告）日：2005-07-28

  Novel thrombin inhibitors of the formula I (I)and pharmaceutically acceptable salts thereof are described wherein the substituents in the description have the specific meanings. The compounds are useful as thrombin inhibitors.

  本发明提供了式I（I）及其药学上可接受的盐的新型凝血酶抑制剂，其中描述中的取代基具有特定的含义。这些化合物可用作凝血酶抑制剂。
• THROMBIN INHIBITORS
  申请人：University of Ljubljana

  公开号：EP1451175A1

  公开（公告）日：2004-09-01
• US7524871B2
  申请人：——

  公开号：US7524871B2

  公开（公告）日：2009-04-28
• [EN] THROMBIN INHIBITORS<br/>[FR] INHIBITEURS DE THROMBINE
  申请人：UNIV LJUBLJANA

  公开号：WO2003048155A1

  公开（公告）日：2003-06-12

  Novel thrombin inhibitors of the formula I (I)and pharmaceutically acceptable salts thereof are described wherein the substituents in the description have the specific meanings. The compounds are useful as thrombin inhibitors.
• Selective 3-Amino-2-pyridinone acetamide thrombin inhibitors incorporating weakly basic partially saturated heterobicyclic P1-Arginine mimetics
  作者：Lucija Peterlin-Mašič、Andreja Kranjc、Petra Marinko、Gregor Mlinšek、Tomaž Šolmajer、Mojca Stegnar、Danijel Kikelj

  DOI：10.1016/s0960-894x(03)00717-0

  日期：2003.10

  Novel, highly selective and potent thrombin inhibitors were identified as a result of combing the 3-benzylsulfonylamino-2-pyridinone acetamide P-2-P-3 surrogate with weakly basic partially saturated heterobicyclic P-1-arginine mimetics 1-8. The design, synthesis. biological activity, and the binding modes of non-covalent thrombin inhibitors featuring P-1-4,5,6,7-tetrahydroindazole, 5,6,7,8-tetrahydroquinazoline, and 4,5,6,7-tetrahydrobenzothiazole moieties are described. (C) 2003 Elsevier Ltd. All rights reserved.