9-[4-[2,5-二甲基-4-[[2-[4-(三氟甲基)苯基]苯甲酰基]氨基]苯并咪唑-1-基]丁基]-N-(2,2,2-三氟乙基)芴-9-甲酰胺 | 194213-64-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 中文名称: 9-[4-[2,5-二甲基-4-[[2-[4-(三氟甲基)苯基]苯甲酰基]氨基]苯并咪唑-1-基]丁基]-N-(2,2,2-三氟乙基)芴-9-甲酰胺
• 英文名称: 9-[4-[2,5-dimethyl-4-[[[4'-(trifluoromethyl)[1,1'-biphenyl]-2-yl]carbonyl]amino]-1H-benzimidazol-1-yl]butyl]-N-(2,2,2-trifluoro-ethyl)-9H-fluorene-9-carboxamide
• 英文别名: 9H-Fluorene-9-carboxamide, 9-(4-(2,5-dimethyl-4-(((4'-(trifluoromethyl)(1,1'-biphenyl)-2-yl)carbonyl)amino)-1H-benzimidazol-1-yl)butyl)-N-(2,2,2-trifluoroethyl)-；9-[4-[2,5-dimethyl-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzimidazol-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
• CAS: 194213-64-4
• 化学式: C₄₃H₃₆F₆N₄O₂
• 分子量: 754.775
• InChiKey: PCOWNQCLFYEXLR-UHFFFAOYSA-N

物化性质

• 沸点：
  805.0±65.0 °C(Predicted)
• 密度：
  1.31±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  9.8
• 重原子数：
  55
• 可旋转键数：
  10
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  76
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  4-三氟甲基-联苯-2-甲酸 在 草酰氯 、 三乙胺 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.5h， 生成 9-[4-[2,5-二甲基-4-[[2-[4-(三氟甲基)苯基]苯甲酰基]氨基]苯并咪唑-1-基]丁基]-N-(2,2,2-三氟乙基)芴-9-甲酰胺
  参考文献：
  名称：

  A Novel Series of Highly Potent Benzimidazole-Based Microsomal Triglyceride Transfer Protein Inhibitors

  摘要：

  A series of benzimidazole-based analogues of the potent MTP inhibitor EMS-201038 were discovered. Incorporation of an unsubstituted benzimidazole moiety in place of a piperidine group afforded potent inhibitors of MTP in vitro which were weakly active in vivo. Appropriate substitution on the benzimidazole ring, especially with small alkyl groups, led to dramatic increases in potency, both in a cellular assay of apoB secretion and especially in animal models of cholesterol lowering. The most potent in this series, 3g (BMS-212122), was significantly more potent than EMS-201038 in reducing plasma lipids (cholesterol, VLDL/LDL, TG) in both hamsters and cynomolgus monkeys.

  DOI：

  10.1021/jm000494a

文献信息

• Combination of MTP inhibitors or apoB-secretion inhibitors with fibrates for use as pharmaceuticals
  申请人：Boehringer Ingelheim Pharma KG

  公开号：US20030162788A1

  公开（公告）日：2003-08-28

  The invention relates to the use of fibrates for lowering the liver toxicity of MTP inhibitors as well as pharmaceutical compositions containing an MTP inhibitor and a fibrate.

  本发明涉及使用纤维酸衍生物来降低MTP抑制剂对肝脏的毒性，以及包含MTP抑制剂和纤维酸衍生物的药物组合物。
• Methods of inhibiting inflammation
  申请人：Blumberg S. Richard

  公开号：US20050234073A1

  公开（公告）日：2005-10-20

  The invention provides a method of inhibiting inflammation in a mammal, by administering to the mammal composition containing a compound which inhibits the expression or activity of a microsomal triglyceride transfer protein.

  本发明提供了一种抑制哺乳动物炎症的方法，给哺乳动物服用含有抑制微粒体甘油三酯转移蛋白表达或活性的化合物的组合物。
• CONFORMATIONALLY RESTRICTED AROMATIC INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND METHOD
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：EP0904262B1

  公开（公告）日：2004-04-21
• KOMBINATION VON MTP INHIBITOREN ODER apoB-SEKRETIONS-INHIBITOREN MIT FIBRATEN ZUR VERWENDUNG ALS ARZNEIMITTEL
  申请人：Boehringer Ingelheim Pharma GmbH & Co. KG

  公开号：EP1465613A2

  公开（公告）日：2004-10-13
• Method for treating atherosclerosis employing an aP2 inhibitor and combination
  申请人：Robl Jeffrey A.

  公开号：US20090076033A1

  公开（公告）日：2009-03-19

  A method is provided for treating atherosclerosis and related diseases, employing an aP2 inhibitor or a combination of an aP2 inhibitor and another antiatheroscletotic agent, for example, an HMG CoA reductase inhibitor such as pravastatin.