2-ethanoyloxy-4-((tert-butoxycarbonyl)amino)benzoic acid | 1122102-38-8

• 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-ethanoyloxy-4-((tert-butoxycarbonyl)amino)benzoic acid
• 英文别名: 2-acetoxy-4-((tert-butoxycarbonyl)amino)benzoic acid；2-Acetoxy-4-(tert-butoxycarbonylamino)benzoic acid；2-acetyloxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
• CAS: 1122102-38-8
• 化学式: C₁₄H₁₇NO₆
• 分子量: 295.292
• InChiKey: QVLGGTILVUCZMC-UHFFFAOYSA-N

物化性质

• 沸点：
  395.2±37.0 °C(Predicted)
• 密度：
  1.291±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  102
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-ethanoyloxy-4-((tert-butoxycarbonyl)amino)benzoic acid 在 吡啶 、 氯化亚砜 作用下， 以 二氯甲烷 为溶剂， 以82%的产率得到[2-Carbonochloridoyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] acetate
  参考文献：
  名称：

  Colon-specific mutual amide prodrugs of 4-aminosalicylic acid for their mitigating effect on experimental colitis in rats

  摘要：

  Mutual amide prodrugs of 4-aminosalicylic acid with D-phenylalanine and L-tryptophan were synthesized for targeted drug delivery to the inflamed gut tissue in inflammatory bowel disease. Stability studies in aqueous buffers (pH 1.2 and 7.4) showed that the synthesized prodrugs were stable in both the buffers over a period of 10 h. In rat fecal matter the release of 4-aminosalicylic acid from the prodrugs was in the range of 86-91% over a period of 20 h, with half-lives ranging between 343 and 412 min following first order kinetics. Targeting potential of the carrier system and the ameliorating effect of the amide conjugates were evaluated in trinitrobenzenesulfonic acid-induced experimental colitis model in rats. The prodrugs were assessed for their probable damaging effects on pancreas and liver with the help of histopathological analysis and for their ulcerogenic potential by Rainsford's cold stress method. They were found to have improved safety profile than sulfasalazine, oral 4- and 5-aminosalicylic acid with similar pharmacological spectrum and advantages of sulfasalazine. (C) 2008 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2008.03.035
• 作为产物：
  描述：

  4-((tert-butoxycarbonyl)amino)-2-hydroxybenzoic acid 、 乙酸酐 在 溶剂黄146 作用下， 反应 12.0h， 以85%的产率得到2-ethanoyloxy-4-((tert-butoxycarbonyl)amino)benzoic acid
  参考文献：
  名称：

  Colon-specific mutual amide prodrugs of 4-aminosalicylic acid for their mitigating effect on experimental colitis in rats

  摘要：

  Mutual amide prodrugs of 4-aminosalicylic acid with D-phenylalanine and L-tryptophan were synthesized for targeted drug delivery to the inflamed gut tissue in inflammatory bowel disease. Stability studies in aqueous buffers (pH 1.2 and 7.4) showed that the synthesized prodrugs were stable in both the buffers over a period of 10 h. In rat fecal matter the release of 4-aminosalicylic acid from the prodrugs was in the range of 86-91% over a period of 20 h, with half-lives ranging between 343 and 412 min following first order kinetics. Targeting potential of the carrier system and the ameliorating effect of the amide conjugates were evaluated in trinitrobenzenesulfonic acid-induced experimental colitis model in rats. The prodrugs were assessed for their probable damaging effects on pancreas and liver with the help of histopathological analysis and for their ulcerogenic potential by Rainsford's cold stress method. They were found to have improved safety profile than sulfasalazine, oral 4- and 5-aminosalicylic acid with similar pharmacological spectrum and advantages of sulfasalazine. (C) 2008 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2008.03.035

文献信息

• [EN] MODIFIED PROTEINS AND PROTEIN DEGRADERS<br/>[FR] PROTÉINES MODIFIÉES ET AGENTS DE DÉGRADATION DE PROTÉINES
  申请人：CULLGEN SHANGHAI INC

  公开号：WO2021239117A1

  公开（公告）日：2021-12-02

  Provided herein are compounds, pharmaceutical compositions, and methods for binding or degrading target proteins. Further provided herein are compounds having a DNA damage-binding protein 1 (DDB1) binding moiety. Some such embodiments include a linker. Some such embodiments include a target protein binding moiety. Further provided herein are ligand-DDB1 complexes. Further provided herein are in vivo modified DDB1 proteins.

  本文提供了结合或降解靶蛋白的化合物、药物组合物和方法。本文还提供了具有DNA损伤结合蛋白1（DDB1）结合基团的化合物。其中一些实施例包括连接物。其中一些实施例包括靶蛋白结合基团。本文还提供了配体-DDB1复合物。本文还提供了体内修饰的DDB1蛋白。