(1R)-1-(1-benzofuran-2-yl)-2,2-dimethylpropan-1-amine | 654683-76-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: (1R)-1-(1-benzofuran-2-yl)-2,2-dimethylpropan-1-amine
• CAS: 654683-76-8
• 化学式: C₁₃H₁₇NO
• 分子量: 203.284
• InChiKey: HCZYBPRSKCZGRB-LBPRGKRZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  39.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-[(4-ethoxy-1-oxo-1,2,5-thiadiazol-3-yl)amino]-2-hydroxy-N,N-dimethylbenzamide 、 (1R)-1-(1-benzofuran-2-yl)-2,2-dimethylpropan-1-amine 在 N,N-二异丙基乙胺 作用下， 以 甲醇 为溶剂， 生成 3-[[4-[[(1R)-1-(1-benzofuran-2-yl)-2,2-dimethylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
  参考文献：
  名称：

  3,4-Diamino-1,2,5-thiadiazole as potent and selective CXCR2 antagonists

  摘要：

  A series of potent and selective 3,4-diamino-1,2,5-thiadiazoles were prepared and found to show excellent binding affinities towards CXCR2 receptor. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.01.027

文献信息

• THIADIAZOLES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS
  申请人：Biju J. Purakkattle

  公开号：US20080090823A1

  公开（公告）日：2008-04-17

  Disclosed are novel compounds of the formula: and the pharmaceutically acceptable salts and solvates thereof. Examples of groups comprising Substituent A include heteroaryl, aryl, heterocycloalkyl, cycloalkyl, aryl, alkynyl, alkenyl, aminoalkyl, alkyl or amino. Examples of groups comprising Substituent B include aryl and heteroaryl. Also disclosed is a method of treating a chemokine mediated diseases, such as, cancer, angiogenisis, angiogenic ocular diseases, pulmonary diseases, multiple sclerosis, rheumatoid arthritis, osteoarthritis, stroke and ischemia reperfusion injury, pain (e.g., acute pain, acute and chronic inflammatory pain, and neuropathic pain) using a compound of formula IA.

  本发明涉及的是一种新型的化合物，其结构式如下：其中包括Substituent A和Substituent B，其药学上可接受的盐和溶剂化合物。Substituent A的基团包括杂环芳基、芳基、杂环烷基、环烷基、炔基、烯基、氨基烷基、烷基或氨基。Substituent B的基团包括芳基和杂环芳基。本发明还涉及一种治疗趋化因子介导疾病的方法，例如癌症、血管生成、眼部血管生成性疾病、肺部疾病、多发性硬化症、类风湿性关节炎、骨关节炎、中风和缺血再灌注损伤、疼痛（例如急性疼痛、急性和慢性炎症性疼痛和神经病理性疼痛），使用化合物IA的方法。
• Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands
  申请人：Taveras G. Arthur

  公开号：US20070264230A1

  公开（公告）日：2007-11-15

  Disclosed are novel compounds of the formula: and the pharmaceutically acceptable salts and solvates thereof. Examples of groups comprising Substituent A include heteroaryl, aryl, heterocycloalkyl, cycloalkyl, aryl, alkynyl, alkenyl, aminoalkyl, alkyl or amino. Examples of groups comprising Substituent B include aryl and heteroaryl. Also disclosed is a method of treating a chemokine mediated diseases, such as, cancer, angiogenisis, angiogenic ocular diseases, pulmonary diseases, multiple sclerosis, rheumatoid arthritis, osteoarthritis, stroke and cardiac reperfusion injury, acute pain, acute and chronic inflammatory pain, and neuropathic pain using a compound of formula IA.

  揭示了具有以下结构的新化合物：以及其药物可接受的盐和溶剂化物。包括取代基A的基团的例子包括杂环芳基，芳基，杂环烷基，环烷基，炔基，烯基，氨基烷基，烷基或氨基。包括取代基B的基团的例子包括芳基和杂环芳基。此外，还揭示了使用式IA的化合物治疗趋化因子介导的疾病的方法，例如，癌症，血管生成，血管生成性眼部疾病，肺部疾病，多发性硬化症，类风湿性关节炎，骨关节炎，中风和心脏再灌注损伤，急性疼痛，急性和慢性炎症性疼痛以及神经病理性疼痛。
• 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands
  申请人：Taveras G. Arthur

  公开号：US20070021494A1

  公开（公告）日：2007-01-25

  There are disclosed compounds of the formula or a pharmaceutically acceptable salt or solvate thereof which are useful for the treatment of chemokine-mediated diseases such as acute and chronic inflammatory disorders and cancer.

  公开了以下化合物的公式或其药学上可接受的盐或溶剂，它们可用于治疗趋化因子介导的疾病，如急性和慢性炎症性疾病和癌症。
• 3,4-DI-SUBSTITUTED CYCLOBUTENE-1,2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS
  申请人：Taveras Arthur G.

  公开号：US20090306079A1

  公开（公告）日：2009-12-10

  There are disclosed compounds of the formula or a pharmaceutically acceptable salt or solvate thereof which are useful for the treatment of chemokine-mediated diseases such as acute and chronic inflammatory disorders and cancer.

  公开了以下式子的化合物，或其药学上可接受的盐或溶剂，其对于化学因子介导的疾病如急慢性炎症性疾病和癌症的治疗是有用的。
• 3,4-Di-Substituted Cyclobutene-1,2-Diones as CXC-Chemokine Receptor Ligands
  申请人：Taveras Arthur G.

  公开号：US20110213029A1

  公开（公告）日：2011-09-01

  There are disclosed compounds of the formula or a pharmaceutically acceptable salt or solvate thereof which are useful for the treatment of chemokine-mediated diseases such as acute and chronic inflammatory disorders and cancer.

  公开了以下式的化合物，或其药学上可接受的盐或溶剂，它们可用于治疗由趋化因子介导的疾病，如急性和慢性炎症性疾病和癌症。