2-chloro-5-[(2-chloro-4-methylsulfonylbenzoyl)amino]-N-(2-ethylphenyl)benzamide | 1572922-77-0

• 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: 2-chloro-5-[(2-chloro-4-methylsulfonylbenzoyl)amino]-N-(2-ethylphenyl)benzamide
• CAS: 1572922-77-0
• 化学式: C₂₃H₂₀Cl₂N₂O₄S
• 分子量: 491.395
• InChiKey: AOPFCBRNKLMRQD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  101
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-氯-4-甲砜基苯甲酸 在 氯化亚砜 、 1-羟基苯并三唑 、 三乙胺 、 N,N'-二环己基碳二亚胺 作用下， 以 N,N-二甲基乙酰胺 、 N,N-二甲基甲酰胺 为溶剂， 生成 2-chloro-5-[(2-chloro-4-methylsulfonylbenzoyl)amino]-N-(2-ethylphenyl)benzamide
  参考文献：
  名称：

  Synthesis and biological evaluation of novel benzamide derivatives as potent smoothened antagonists

  摘要：

  A series of novel benzamide derivatives were prepared and evaluated using cell-based measurements. Among these compounds, 10f significantly inhibited Hedgehog signaling and showed equivalent or more potency than GDC-0449 in different tests. Furthermore, compound 10f potently inhibited the proliferation of Daoy, a medulloblastoma cell line that is reported to be resistant to GDC-0449, which indicated a promising prospect in the treatment of Hedgehog signaling pathway related cancer in clinical trial. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.01.006

文献信息

• Synthesis and biological evaluation of novel benzamide derivatives as potent smoothened antagonists
  作者：Tian-Ming Wu、Dao-Cai Wang、Pu Xiang、Jian-Nan Zhang、Ya-Xiong Sang、Hong-Jun Lin、Jie Chen、Gang Xie、Hang Song、Ying-Lan Zhao、Yong-Mei Xie

  DOI：10.1016/j.bmcl.2014.01.006

  日期：2014.3

  A series of novel benzamide derivatives were prepared and evaluated using cell-based measurements. Among these compounds, 10f significantly inhibited Hedgehog signaling and showed equivalent or more potency than GDC-0449 in different tests. Furthermore, compound 10f potently inhibited the proliferation of Daoy, a medulloblastoma cell line that is reported to be resistant to GDC-0449, which indicated a promising prospect in the treatment of Hedgehog signaling pathway related cancer in clinical trial. (C) 2014 Elsevier Ltd. All rights reserved.