Ethyl 4-[2-[4-(4-chlorophenoxy)phenyl]-2-hydroxyethyl]-3-nitrobenzoate | 883560-00-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: Ethyl 4-[2-[4-(4-chlorophenoxy)phenyl]-2-hydroxyethyl]-3-nitrobenzoate
• CAS: 883560-00-7
• 化学式: C₂₃H₂₀ClNO₆
• 分子量: 441.868
• InChiKey: VVTIGIAPGNBFNC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  102
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Ethyl 4-[2-[4-(4-chlorophenoxy)phenyl]-2-hydroxyethyl]-3-nitrobenzoate 在 盐酸 、 氢氧化钾 、 dichlorotetrakis(triphenylphosphine)ruthenium(II) 、 铁粉 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 生成 2-(4-(4-chlorophenoxy)phenyl)-1H-indole-6-carboxylic acid
  参考文献：
  名称：

  Novel non-benzimidazole chk2 kinase inhibitors

  摘要：

  In a recent paper, [Arienti, K. L.; Brunmark, A.; Axe, F. U.; McClure, K. M.; Lee, A.; Blevitt, J.; Neff, D. K.; Huang, L.; Crawford, S.; Chermagiri, R. P.; Karlsson, L.; Brietenbucher, J. G. J. Med. Chem. 2005, 48, 1873], we described the discovery of a class of benzimidazole chk2 kinase inhibitors, exemplified by compound 1, which had radio-protective effects in human T-cells subjected to ionizing radiation. Here, a series of non-benzimidazole analogs intended to define the scope of the SAR about this new series of inhibitor, and allow for refinement of the binding model of these compounds to the chk2 kinase is described. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.12.096
• 作为产物：
  描述：

  乙基 4-甲基-3-硝基苯甲酸 、 4-(4-氯苯氧基)苯甲醛 在 sodium ethanolate 作用下， 以 乙醇 、 二甲基亚砜 为溶剂， 以60%的产率得到Ethyl 4-[2-[4-(4-chlorophenoxy)phenyl]-2-hydroxyethyl]-3-nitrobenzoate
  参考文献：
  名称：

  Novel non-benzimidazole chk2 kinase inhibitors

  摘要：

  In a recent paper, [Arienti, K. L.; Brunmark, A.; Axe, F. U.; McClure, K. M.; Lee, A.; Blevitt, J.; Neff, D. K.; Huang, L.; Crawford, S.; Chermagiri, R. P.; Karlsson, L.; Brietenbucher, J. G. J. Med. Chem. 2005, 48, 1873], we described the discovery of a class of benzimidazole chk2 kinase inhibitors, exemplified by compound 1, which had radio-protective effects in human T-cells subjected to ionizing radiation. Here, a series of non-benzimidazole analogs intended to define the scope of the SAR about this new series of inhibitor, and allow for refinement of the binding model of these compounds to the chk2 kinase is described. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.12.096

文献信息

• Methods for Chk2 inhibitor patient selection
  申请人：Altieri Dario

  公开号：US20080125358A1

  公开（公告）日：2008-05-29

  The present invention contemplates a method to identify subjects that either have a tumor, or are at risk for tumor development, that are responsive to various inhibitors of an activated-Chk2 protein. Such Chk2 inhibitors may comprise a benzimidazole core structure, and derivatives thereof. Other Chk2 inhibitors may comprise nucleic acids, such as silencing interference RNA's specific for a Chk2 expression. Other Chk2 inhibitors may comprises proteins, such as antibodies. For example, the present invention contemplates that when a Chk2 inhibitor is administered during, or after, ionizing radiation tumor cell apoptosis is increased.

  本发明考虑了一种用于识别患有肿瘤或患有肿瘤风险、对激活的Chk2蛋白的各种抑制剂具有响应的受试者的方法。这些Chk2抑制剂可能包括苯并咪唑核结构及其衍生物。其他Chk2抑制剂可能包括核酸，例如特异于Chk2表达的沉默干扰RNA。其他Chk2抑制剂可能包括蛋白质，例如抗体。例如，本发明考虑了当在电离辐射期间或之后给予Chk2抑制剂时，肿瘤细胞凋亡增加。