5-氨基甲基茚满 | 13203-56-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 中文名称: 5-氨基甲基茚满
• 中文别名: 5-氨甲基茚满
• 英文名称: (2,3-dihydro-1H-inden-5-yl)methanamine
• 英文别名: indan-5-ylmethylamine；5-Aminomethylindan；2,3-dihydro-1H-inden-5-ylmethanamine
• CAS: 13203-56-0
• 化学式: C₁₀H₁₃N
• mdl: MFCD04038468
• 分子量: 147.22
• InChiKey: JJVNSSFYOJOECV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2921499090
• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  4-苯氧基苯甲酸 、 5-氨基甲基茚满 在 1-羟基苯并三唑 、 2-乙氧基-1-乙氧碳酰基-1,2-二氢喹啉 作用下， 以 二氯甲烷 为溶剂， 生成 N-((2,3-dihydro-1H-inden-5-yl)methyl)-4-phenoxybenzamide
  参考文献：
  名称：

  Two classes of p38α MAP kinase inhibitors having a common diphenylether core but exhibiting divergent binding modes

  摘要：

  Two new classes of diphenylether inhibitors of p38alpha MAP kinase are described. Both chemical classes are based on a common diphenylether core that is identified by simulated fragment annealing as one of the most favored chemotypes within a prominent hydrophobic pocket of the p38alpha ATP-binding site. In the fully elaborated molecules, the diphenylether moiety acts as an anchor occupying the deep pocket, while polar extensions make specific interactions with either the adenine binding site or the phosphate binding site of ATP. The synthesis, crystallographic analysis, and biological activity of these p38alpha inhibitors are discussed.

  DOI：

  10.1016/j.bmcl.2005.08.038
• 作为产物：
  描述：

  5-羟基甲基茚满 在 lithium aluminium tetrahydride 、 二溴亚砜 、 sodium azide 、 四丁基溴化铵 、 sodium sulfite 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 反应 37.0h， 生成 5-氨基甲基茚满
  参考文献：
  名称：

  Two classes of p38α MAP kinase inhibitors having a common diphenylether core but exhibiting divergent binding modes

  摘要：

  Two new classes of diphenylether inhibitors of p38alpha MAP kinase are described. Both chemical classes are based on a common diphenylether core that is identified by simulated fragment annealing as one of the most favored chemotypes within a prominent hydrophobic pocket of the p38alpha ATP-binding site. In the fully elaborated molecules, the diphenylether moiety acts as an anchor occupying the deep pocket, while polar extensions make specific interactions with either the adenine binding site or the phosphate binding site of ATP. The synthesis, crystallographic analysis, and biological activity of these p38alpha inhibitors are discussed.

  DOI：

  10.1016/j.bmcl.2005.08.038

文献信息

• [EN] IL4I1 INHIBITORS AND METHODS OF USE<br/>[FR] INHIBITEURS D'IL4I1 ET PROCÉDÉS D'UTILISATION
  申请人：MERCK SHARP & DOHME

  公开号：WO2021226003A1

  公开（公告）日：2021-11-11

  Described herein are compounds of Formula I or a pharmaceutically acceptable salt thereof. The compounds of Formula I act as IL4I1 inhibitors and can be useful in preventing, treating or acting as a remedial agent for IL4I1-related diseases.

  本文描述了化合物I的结构或其药用盐。化合物I作为IL4I1抑制剂，可用于预防、治疗或作为IL4I1相关疾病的治疗剂。
• PROCESS FOR PRODUCTION OF HYDROXYADAMANTANEAMINE
  申请人：Shionogi Co., Ltd.

  公开号：EP2088136A1

  公开（公告）日：2009-08-12

  Disclosed is a process for producing 1-hydroxy-4-aminoadamantane.

  本发明公开了一种生产 1-羟基-4-氨基金刚烷的工艺。
• Process for production of hydroxyadamantaneamine
  申请人：SHIONOGI & CO., LTD.

  公开号：EP2610241A1

  公开（公告）日：2013-07-03

  Disclosed is a process for producing 1-hydroxy-4-aminoadamantane.

  本发明公开了一种生产 1-羟基-4-氨基金刚烷的工艺。
• PYRAZINONE THROMBIN INHIBITORS
  申请人：MERCK & CO., INC.

  公开号：EP0900207B1

  公开（公告）日：2001-11-21
• Cyclic GMP phosphodiesterase inhibitors. 1. The discovery of a novel potent inhibitor, 4-[[3,4-(methylenedioxy)benzyl]amino]-6,7,8-trimethoxyquinazoline
  作者：Yasutaka Takase、Takao Saeki、Masatoshi Fujimoto、Isao Saito

  DOI：10.1021/jm00076a003

  日期：1993.11

  A newly synthesized compound, 4-((3,4-(methylenedioxy)benzyl)amino)-6,7,8-trimethoxyquinazo-line (6), had a potent (IC50 = 0.36 mu M) inhibitory action on cyclic GMP phosphodiesterase (cGMP- PDE) isolated from porcine aorta; its inhibitory activities toward other PDE isozymes were at least 10-fold weaker. In addition, 6 relaxed porcine coronary arteries precontracted with PGF(2 alpha), (EC(50) = 1.96 +/- 0.58 mu M). At the concentration of 30 mu M, 6 caused elevation of the intracellular cGMP level in porcine coronary arteries without any change in cAMP level. Various other 4-substituted 6,7,8-trimethoxyquinazolines were also synthesized and evaluated for cGMP-PDE inhibitory activity. From their structure-activity relationships, we concluded that the 4-((3,4-(methylenedioxy)benzyl)amino) group is essential for potent inhibition of cGMP-PDE.