1-[[2'-[[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl-2-methyl][1,1'-biphenyl]-4-yl]methyl]-4-ethyl-N-methyl-2-propyl-1H-imidazole-5-carboxamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-[[2'-[[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl-2-methyl][1,1'-biphenyl]-4-yl]methyl]-4-ethyl-N-methyl-2-propyl-1H-imidazole-5-carboxamide
• 英文别名: 3-[2''-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-2-methyl-biphenyl-4-ylmethyl]-5-ethyl-2-propyl-3H-imidazole-4-carboxylic acid methylamide；3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-methylphenyl]methyl]-5-ethyl-N-methyl-2-propylimidazole-4-carboxamide
• 化学式: C₂₉H₃₅N₅O₄S
• 分子量: 549.694
• InChiKey: XINKQDLHXXVNGY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  39
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  128
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2-溴苯磺酰氯 在 吡啶 、 盐酸 、 4-二甲氨基吡啶 、 氢氧化钾 、 sodium tetrahydroborate 、 四(三苯基膦)钯 、 正丁基锂 、 四溴化碳 、 sodium carbonate 、 potassium carbonate 、 三苯基膦 、 N,N'-羰基二咪唑 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 、 乙醇 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 32.25h， 生成 1-[[2'-[[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl-2-methyl][1,1'-biphenyl]-4-yl]methyl]-4-ethyl-N-methyl-2-propyl-1H-imidazole-5-carboxamide
  参考文献：
  名称：

  Discovery of 4′-[(Imidazol-1-yl)methyl]biphenyl-2-sulfonamides as dual endothelin/Angiotensin II receptor antagonists

  摘要：

  A series of 4'-[(imidazol-1-yl)methyl]biphenylsulfonamides has potent antagonist activity against both angiotensin II AT(1) and endothelin ETA receptors. Such dual-acting antagonists could have utility in the treatment of hypertension, heart failure, and other cardiovascular diseases in a broad patient population. Certain compounds in the present series are orally active in a rat model of angiotensin II-mediated hypertension. (C) 2603 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00018-0

文献信息

• Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists
  申请人：——

  公开号：US20020143024A1

  公开（公告）日：2002-10-03

  Novel biphenyl sulfonamide compounds which are combined angiotensin and endothelin receptor antagonists are claimed along with methods of using such compounds in the treatment of conditions such as hypertension and other diseases, as well as pharmaceutical compositions containing such compounds.

  声称结合了血管紧张素和内皮素受体拮抗剂的新型联苯磺酰胺化合物，以及使用这种化合物治疗高血压和其他疾病的方法，以及含有这种化合物的药物组合物。
• BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS
  申请人：Bristol-Myers Squibb Company

  公开号：EP1237888B1

  公开（公告）日：2006-09-13
• US6835741B2
  申请人：——

  公开号：US6835741B2

  公开（公告）日：2004-12-28
• US6852745B2
  申请人：——

  公开号：US6852745B2

  公开（公告）日：2005-02-08
• Discovery of 4′-[(Imidazol-1-yl)methyl]biphenyl-2-sulfonamides as dual endothelin/Angiotensin II receptor antagonists
  作者：John E Tellew、Rose Ann F Baska、Sophie M Beyer、Kenneth E Carlson、Lyndon A Cornelius、Leena Fadnis、Zhengxiang Gu、Bridgette L Kunst、Mark C Kowala、Hossain Monshizadegan、Natesan Murugesan、Carol S Ryan、Maria T Valentine、Yifan Yang、John E Macor

  DOI：10.1016/s0960-894x(03)00018-0

  日期：2003.3

  A series of 4'-[(imidazol-1-yl)methyl]biphenylsulfonamides has potent antagonist activity against both angiotensin II AT(1) and endothelin ETA receptors. Such dual-acting antagonists could have utility in the treatment of hypertension, heart failure, and other cardiovascular diseases in a broad patient population. Certain compounds in the present series are orally active in a rat model of angiotensin II-mediated hypertension. (C) 2603 Elsevier Science Ltd. All rights reserved.