N-(1-(4''-(4-propoxyphenoxy)biphenyl-4-yl)ethyl)butyramide | 1196968-88-3

• 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: N-(1-(4''-(4-propoxyphenoxy)biphenyl-4-yl)ethyl)butyramide
• 英文别名: N-[1-[4-[4-(4-propoxyphenoxy)phenyl]phenyl]ethyl]butanamide
• CAS: 1196968-88-3
• 化学式: C₂₇H₃₁NO₃
• 分子量: 417.548
• InChiKey: SLUJFMNQYLRPPU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  31
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  47.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-[4′-(4-propoxyphenoxy)[1,1′-biphenyl]-4-yl]ethan-1-one 、 丁酸 在 氨 、 titanium(IV)isopropoxide 、 sodium tetrahydroborate 、 1-羟基苯并三唑 、 N,N-二异丙基乙胺 、 N,N'-二环己基碳二亚胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 24.0h， 生成 N-(1-(4''-(4-propoxyphenoxy)biphenyl-4-yl)ethyl)butyramide
  参考文献：
  名称：

  Potent biphenyl- and 3-phenyl pyridine-based inhibitors of acetyl-CoA carboxylase

  摘要：

  We report the synthesis and enzymatic evaluation of potent inhibitors of acetyl-CoA carboxylases (ACCs) containing biphenyl or 3-phenyl pyridine cores. These compounds inhibit both ACC1 and ACC2, or are moderately selective for either enzyme, depending on side chain substitution. Typical activities of the most potent compounds in this class are in the low double-digit to single-digit nanomolar range in in vitro assays using human ACC1 and ACC2 enzymes. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.08.077

文献信息

• Potent biphenyl- and 3-phenyl pyridine-based inhibitors of acetyl-CoA carboxylase
  作者：Tasir S. Haque、Ningning Liang、Rajasree Golla、Ramakrishna Seethala、Zhengping Ma、William R. Ewing、Christopher B. Cooper、Mary Ann Pelleymounter、Michael A. Poss、Dong Cheng

  DOI：10.1016/j.bmcl.2009.08.077

  日期：2009.10

  We report the synthesis and enzymatic evaluation of potent inhibitors of acetyl-CoA carboxylases (ACCs) containing biphenyl or 3-phenyl pyridine cores. These compounds inhibit both ACC1 and ACC2, or are moderately selective for either enzyme, depending on side chain substitution. Typical activities of the most potent compounds in this class are in the low double-digit to single-digit nanomolar range in in vitro assays using human ACC1 and ACC2 enzymes. (C) 2009 Elsevier Ltd. All rights reserved.