7-(1,4-dioxa-8-aza-spiro[4.5]dec-8-yl)-9-propyl-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-ylamine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂螺癸烷衍生物
• 英文名称: 7-(1,4-dioxa-8-aza-spiro[4.5]dec-8-yl)-9-propyl-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-ylamine
• 英文别名: 11-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-13-propyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
• 化学式: C₁₉H₂₃N₅O₂S
• 分子量: 385.49
• InChiKey: DTQGOOFGBVLNLL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  115
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  7-(1,4-dioxa-8-aza-spiro[4.5]dec-8-yl)-9-propyl-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-ylamine 在 盐酸 作用下， 反应 2.0h， 以93%的产率得到1-(4-amino-9-propyl-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)-piperidin-4-one
  参考文献：
  名称：

  [EN] SUBSTITUTED TRICYCLIC HETEROCYCLES AND THEIR USES
  [FR] HETEROCYCLES TRICYCLIQUES SUBSTITUES ET LEURS UTILISATIONS

  摘要：

  公开号：

  WO2005035537A3
• 作为产物：
  描述：

  3-amino-6-(1,4-dioxa-8-aza-spiro[4.5]dec-8-yl)-4-propyl-thieno[2,3-b]pyridine-2-carbonitrile 、 formamide 在 氨 作用下， 反应 1.0h， 以67%的产率得到7-(1,4-dioxa-8-aza-spiro[4.5]dec-8-yl)-9-propyl-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-ylamine
  参考文献：
  名称：

  [EN] SUBSTITUTED TRICYCLIC HETEROCYCLES AND THEIR USES
  [FR] HETEROCYCLES TRICYCLIQUES SUBSTITUES ET LEURS UTILISATIONS

  摘要：

  公开号：

  WO2005035537A3

文献信息

• [EN] PYRIDO [3',2' :4,5] THIENO [3, 2-D] PYRIMIDIN- 4 - YLAMINE DERIVATIVES AND THEIR THERAPEUTICAL USE<br/>[FR] DÉRIVÉS DE PYRIDO[3',2':4,5]THIÉNO[3,2-D]PYRIMIDIN-4-YLAMINE ET LEUR UTILISATION THÉRAPEUTIQUE
  申请人：BAELL JONATHAN BAYLDON

  公开号：WO2012131297A1

  公开（公告）日：2012-10-04

  The present invention pertains generally to the field of therapeutic compounds, and more specifically to certain fused triaryl amine compounds of the following formula (for convenience, collectively referred to herein as "FTA compounds"), which, inter alia, inhibit LIM kinase (LIMK) activity. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit LIMK activity, and in the treatment of diseases and conditions that are mediated by LIMK, that are ameliorated by the inhibition of LIMK activity, etc., including proliferative conditions such as cancer (e.g., breast cancer, prostate cancer, melanoma, glioma, etc.), as well as vasodilation (including, e.g., hypertension, angina, cerebral vasospasm, and ischemia following subarachnoid hemorrhage), neurodegenerative disorders, atherosclerosis, fibrosis, and inflammatory diseases (including, e.g., Crohn's disease and chronic obstructive pulmonary disease (COPD)), and glaucoma (also known as ocular hypertension).

  本发明一般涉及治疗化合物领域，更具体地涉及以下公式的某些融合三芳基胺化合物（为方便起见，统称为“FTA化合物”），该化合物等等可以抑制LIM激酶（LIMK）活性。本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和组合物在体内和体外抑制LIMK活性，以及治疗由LIMK介导，通过抑制LIMK活性得到改善等疾病和症状的用途，包括增生性疾病，如癌症（如乳腺癌、前列腺癌、黑色素瘤、胶质瘤等），以及血管扩张（包括高血压、心绞痛、脑血管痉挛和蛛网膜下腔出血后缺血等）、神经退行性疾病、动脉硬化、纤维化和炎症性疾病（如克罗恩病和慢性阻塞性肺病（COPD）），以及青光眼（又称眼高压）等。
• Substituted tricyclic heterocycles and their uses
  申请人：Cywin Lawrence Charles

  公开号：US20050101601A1

  公开（公告）日：2005-05-12

  Disclosed are substituted tricyclic heterocycle compounds of the formulas (I), (II) and (III) shown below, wherein R 1 , R 2 , R 3 and R 4 are described herein, which are active as anti-inflammatory agents. Also disclosed are methods of using and making such compounds.

  本发明涉及以下式子的取代三环杂环化合物(I)、(II)和(III)，其中R1、R2、R3和R4如下所述，其作为抗炎药物具有活性。本发明还涉及使用和制备这种化合物的方法。
• Substituted Tricyclic Heterocycles and their Uses
  申请人：Cywin Lawrence Charles

  公开号：US20080008720A1

  公开（公告）日：2008-01-10

  Disclosed are substituted tricyclic heterocycle compounds of the formulas (I), (II) and (III) shown below, wherein R 1 , R 2 , R 3 and R 4 are described herein, which are active as anti-inflammatory agents. Also disclosed are methods of using and making such compounds.

  本发明涉及下式（I），（II）和（III）所示的取代三环杂环化合物，其中R1，R2，R3和R4如下所述，其作为抗炎剂具有活性。还公开了使用和制备这种化合物的方法。
• SUBSTITUTED TRICYCLIC HETEROCYCLES AND THEIR USES
  申请人：Boehringer Ingelheim Pharmaceuticals Inc.

  公开号：EP1673374A2

  公开（公告）日：2006-06-28
• US7291733B2
  申请人：——

  公开号：US7291733B2

  公开（公告）日：2007-11-06