2-{[(4-Methoxyphenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: 2-{[(4-Methoxyphenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
• 英文别名: 2-[[2-(4-methoxyphenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
• 化学式: C₁₈H₂₀N₂O₄S
• 分子量: 360.434
• InChiKey: CPQRVQPLUUZMCK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  119
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  (4-甲氧基-苯氧基)-乙酰氯 、 2-氨基-4,5,6,7-四氢苯并[b]噻吩-3-甲酰胺 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 生成 2-{[(4-Methoxyphenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
  参考文献：
  名称：

  Identification of 2-acylaminothiophene-3-carboxamides as potent inhibitors of FLT3

  摘要：

  A series of 2-acylaminothiophene-3-carboxamides has been identified which exhibit potent inhibitory activity against the FLT3 tyrosine kinase. Compound 44 inhibits the isolated enzyme (IC50 = 0.027 mu M) and blocks the proliferation of MV4-11 cells (IC50 = 0.41 mu M). Structure activity relationship studies within this series are described in the context of a proposed binding model within the ATP binding site of the enzyme. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.03.032

文献信息

• Identification of 2-acylaminothiophene-3-carboxamides as potent inhibitors of FLT3
  作者：Raymond J. Patch、Christian A. Baumann、Jian Liu、Alan C. Gibbs、Heidi Ott、Jennifer Lattanze、Mark R. Player

  DOI：10.1016/j.bmcl.2006.03.032

  日期：2006.6

  A series of 2-acylaminothiophene-3-carboxamides has been identified which exhibit potent inhibitory activity against the FLT3 tyrosine kinase. Compound 44 inhibits the isolated enzyme (IC50 = 0.027 mu M) and blocks the proliferation of MV4-11 cells (IC50 = 0.41 mu M). Structure activity relationship studies within this series are described in the context of a proposed binding model within the ATP binding site of the enzyme. (c) 2006 Elsevier Ltd. All rights reserved.