2-(4-nitrophenoxy)-butyroyl chloride | 86464-92-8

• 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-(4-nitrophenoxy)-butyroyl chloride
• 英文别名: 2-(4-Nitrophenoxy)butanoyl chloride
• CAS: 86464-92-8
• 化学式: C₁₀H₁₀ClNO₄
• mdl: MFCD12197843
• 分子量: 243.647
• InChiKey: KIVLYYBGYVSYNY-UHFFFAOYSA-N

物化性质

• 沸点：
  354.4±17.0 °C(Predicted)
• 密度：
  1.326±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  72.1
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT

反应信息

• 作为反应物：
  描述：

  2-(4-nitrophenoxy)-butyroyl chloride 在 铁粉 、 potassium carbonate 、 氯化铵 、 三氟乙酸 、 potassium iodide 作用下， 以 甲醇 、 水 、 乙腈 、 仲丁醇 为溶剂， 反应 18.0h， 生成 2-[[5-chloro-2-[4-[2-(4-(1-oxygen-4-phenylamino))ethyl-3-formyl]-morpholine]pyrimidin-4-yl]amino]-N-methylbenzamide
  参考文献：
  名称：

  Structure-based modification of carbonyl-diphenylpyrimidines (Car-DPPYs) as a novel focal adhesion kinase (FAK) inhibitor against various stubborn cancer cells

  摘要：

  A family of carbonyl substituted diphenylpyrimidine derivatives (Car-DPPYs) with strong activity against focal adhesion kinase (FAK), were described in this manuscript. Among them, compounds 7a (IC50 = 5.17 nM) and 7f (IC50 = 2.58 nM) displayed equal anti-FAK enzymatic activity to the lead compound TAE226 (6.79 nM). In particular, compound 7a also exhibited strong antiproliferative activity against several stubborn cancer cells, including AsPC-1 cells (IC50 = 0.105 mu M), BxPC-3 cells (IC50 = 0.090 mu M), and MCF-7/ADR cells (IC50 = 0.59 mu M). Additionally, compound 7a also showed great antitumor efficacy in vivo via aAsPC-1 cancer Xenograft mouse model. The preliminary mechanism study by Western blot analysis revealed that 7a repressed FAK phosphorylation in AsPC cancer cells. Taken together, the results indicate that compound 7a may serve as a promising preclinical candidate for treatment of stubborn cancers. (C) 2019 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2019.04.004
• 作为产物：
  描述：

  2-(4-nitro-phenoxy)-butyric acid 在 氯化亚砜 作用下， 反应 1.0h， 生成 2-(4-nitrophenoxy)-butyroyl chloride
  参考文献：
  名称：

  Structure-based modification of carbonyl-diphenylpyrimidines (Car-DPPYs) as a novel focal adhesion kinase (FAK) inhibitor against various stubborn cancer cells

  摘要：

  A family of carbonyl substituted diphenylpyrimidine derivatives (Car-DPPYs) with strong activity against focal adhesion kinase (FAK), were described in this manuscript. Among them, compounds 7a (IC50 = 5.17 nM) and 7f (IC50 = 2.58 nM) displayed equal anti-FAK enzymatic activity to the lead compound TAE226 (6.79 nM). In particular, compound 7a also exhibited strong antiproliferative activity against several stubborn cancer cells, including AsPC-1 cells (IC50 = 0.105 mu M), BxPC-3 cells (IC50 = 0.090 mu M), and MCF-7/ADR cells (IC50 = 0.59 mu M). Additionally, compound 7a also showed great antitumor efficacy in vivo via aAsPC-1 cancer Xenograft mouse model. The preliminary mechanism study by Western blot analysis revealed that 7a repressed FAK phosphorylation in AsPC cancer cells. Taken together, the results indicate that compound 7a may serve as a promising preclinical candidate for treatment of stubborn cancers. (C) 2019 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2019.04.004

文献信息

• Herbicidal composition containing a phenoxyalkylamide derivative and
  申请人：UBE Industries, Ltd.

  公开号：US04753674A1

  公开（公告）日：1988-06-28

  There are disclosed a herbicidal composition containing, as an active ingredient, a phenoxyalkylamide derivative represented by the formula ##STR1## wherein X, n, Y, Z, R.sup.1, R.sup.2 and R.sup.3 have the same meanings as defined in the specification, and a method for controlling weeds by the use of the same. The herbicidal composition according to this invention shows a superior weed-killing activity by pre- and post-emergence treatment in soil.

  本发明揭示了一种除草剂组合物，其包含一种以苯氧烷酰胺衍生物为活性成分，其表示为以下结构式：其中X、n、Y、Z、R.sup.1、R.sup.2和R.sup.3的含义与规范中定义的含义相同，并且通过使用该组合物控制杂草的方法。根据本发明的除草剂组合物通过土壤的预处理和后处理显示出优越的除草活性。
• US4753674A
  申请人：——

  公开号：US4753674A

  公开（公告）日：1988-06-28
• US4835094A
  申请人：——

  公开号：US4835094A

  公开（公告）日：1989-05-30
• Structure-based modification of carbonyl-diphenylpyrimidines (Car-DPPYs) as a novel focal adhesion kinase (FAK) inhibitor against various stubborn cancer cells
  作者：Luhong Wang、Min Ai、Jiawen Yu、Lingling Jin、Changyuan Wang、Zhihao Liu、Xiaohong Shu、Zeyao Tang、Kexin Liu、Hui Luo、Wenshun Guan、Xiuli Sun、Xiaodong Ma

  DOI：10.1016/j.ejmech.2019.04.004

  日期：2019.6

  A family of carbonyl substituted diphenylpyrimidine derivatives (Car-DPPYs) with strong activity against focal adhesion kinase (FAK), were described in this manuscript. Among them, compounds 7a (IC50 = 5.17 nM) and 7f (IC50 = 2.58 nM) displayed equal anti-FAK enzymatic activity to the lead compound TAE226 (6.79 nM). In particular, compound 7a also exhibited strong antiproliferative activity against several stubborn cancer cells, including AsPC-1 cells (IC50 = 0.105 mu M), BxPC-3 cells (IC50 = 0.090 mu M), and MCF-7/ADR cells (IC50 = 0.59 mu M). Additionally, compound 7a also showed great antitumor efficacy in vivo via aAsPC-1 cancer Xenograft mouse model. The preliminary mechanism study by Western blot analysis revealed that 7a repressed FAK phosphorylation in AsPC cancer cells. Taken together, the results indicate that compound 7a may serve as a promising preclinical candidate for treatment of stubborn cancers. (C) 2019 Elsevier Masson SAS. All rights reserved.