2-isobutyramidophenyl isobutyrate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: 2-isobutyramidophenyl isobutyrate
• 英文别名: [2-(2-Methylpropanoylamino)phenyl] 2-methylpropanoate
• 化学式: C₁₄H₁₉NO₃
• 分子量: 249.31
• InChiKey: RQIQCGXODZVPON-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-isobutyramidophenyl isobutyrate 在 potassium hydroxide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 以55.5%的产率得到N-(2-羟基苯基)-2-甲基丙酰胺
  参考文献：
  名称：

  Discovery of new low-molecular-weight p53–Mdmx disruptors and their anti-cancer activities

  摘要：

  Although several p53-Mdm2-binding disruptors have been identified to date, few studies have been published on p53-Mdmx-interaction inhibitors. In the present study, we demonstrated that o-aminothiophenol derivatives with molecular weights of 200-300 selectively inhibited the p53-Mdmx interaction. S-2-Isobutyramidophenyl 2-methylpropanethioate (K-178) (1c) activated p53, up-regulated the expression of its downstream genes such as p21 and Mdm2, and preferentially inhibited the growth of cancer cells with wild-type p53 over those with mutant p53. Furthermore, we found that the S-isobutyryl-deprotected forms 1b and 3b of 1c and S-2-benzamidophenyl 2-methylpropanethioate (K-181) (3c) preferentially inhibited the p53-Mdmx interaction over the p53-Mdm2 interaction, respectively, by using a Flag-p53 and glutathione S-transferase (GST)-fused protein complex (Mdm2, Mdmx, DAPK1, or PPID). In addition, the interaction of p53 with Mdmx was lost by replacing a sulfur atom with an oxygen atom in 1b and 1c. These results suggest that sulfides such as 1b, 3b, 4b, and 5b interfere with the binding of p53-Mdmx, resulting in the dissociation of the two proteins. Furthermore, the results of oral administration experiments using xenografts in nude mice indicated that 1c reduced the volume of tumor masses to 49.0% and 36.6% that of the control at 100 mg/kg and 150 mg/kg, respectively, in 40 days. (C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2016.03.021
• 作为产物：
  描述：

  异丁酰氯 、 2-氨基苯酚 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 以72.2%的产率得到2-isobutyramidophenyl isobutyrate
  参考文献：
  名称：

  Discovery of new low-molecular-weight p53–Mdmx disruptors and their anti-cancer activities

  摘要：

  Although several p53-Mdm2-binding disruptors have been identified to date, few studies have been published on p53-Mdmx-interaction inhibitors. In the present study, we demonstrated that o-aminothiophenol derivatives with molecular weights of 200-300 selectively inhibited the p53-Mdmx interaction. S-2-Isobutyramidophenyl 2-methylpropanethioate (K-178) (1c) activated p53, up-regulated the expression of its downstream genes such as p21 and Mdm2, and preferentially inhibited the growth of cancer cells with wild-type p53 over those with mutant p53. Furthermore, we found that the S-isobutyryl-deprotected forms 1b and 3b of 1c and S-2-benzamidophenyl 2-methylpropanethioate (K-181) (3c) preferentially inhibited the p53-Mdmx interaction over the p53-Mdm2 interaction, respectively, by using a Flag-p53 and glutathione S-transferase (GST)-fused protein complex (Mdm2, Mdmx, DAPK1, or PPID). In addition, the interaction of p53 with Mdmx was lost by replacing a sulfur atom with an oxygen atom in 1b and 1c. These results suggest that sulfides such as 1b, 3b, 4b, and 5b interfere with the binding of p53-Mdmx, resulting in the dissociation of the two proteins. Furthermore, the results of oral administration experiments using xenografts in nude mice indicated that 1c reduced the volume of tumor masses to 49.0% and 36.6% that of the control at 100 mg/kg and 150 mg/kg, respectively, in 40 days. (C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2016.03.021

文献信息

• Solid catalyst component for use in olefin polymerisation, catalyst, and application thereof
  申请人：BEIJING LIHE TECHNOLOGY LTD

  公开号：US11136421B2

  公开（公告）日：2021-10-05

  Provided in the present invention is a solid catalyst component for use in olefin polymerisation, comprising Mg, Ti, a halogen, and at least one electron donor, the electron donor being a 2-substituted amino-phenyl ester compound selected from general formula (I). Also disclosed in the present invention are a catalyst comprising the solid catalyst component, and an application for the catalyst in olefin polymerisation, particularly in propylene polymerization. Also provided in the present invention is a high activity catalyst, said catalyst being able to obtain polypropylene of high isotacticity and wide molecular weight distribution, and not requiring an external electron donor to obtain high isotacticity polypropylene; during polymerization, Al/Ti and Al/Si are reduced, the polymerization time is lengthened, and high activity can still be maintained, suitable for producing low-ash polymers.

  本发明提供了一种用于烯烃聚合的固体催化剂组分，包括 Mg、Ti、卤素和至少一种电子供体，电子供体为选自通式 (I) 的 2-取代氨基苯基酯化合物。本发明还公开了一种包含固体催化剂组分的催化剂，以及该催化剂在烯烃聚合，特别是丙烯聚合中的应用。本发明还提供了一种高活性催化剂，所述催化剂能够获得高同素异形度和宽分子量分布的聚丙烯，并且不需要外部电子供体即可获得高同素异形度聚丙烯；在聚合过程中，Al/Ti 和 Al/Si 降低，聚合时间延长，仍可保持高活性，适用于生产低灰分聚合物。
• SOLID CATALYST COMPONENT FOR USE IN OLEFIN POLYMERISATION, CATALYST, AND APPLICATION THEREOF
  申请人：BEIJING LIHE TECHNOLOGY LTD

  公开号：US20200071430A1

  公开（公告）日：2020-03-05

  Provided in the present invention is a solid catalyst component for use in olefin polymerisation, comprising Mg, Ti, a halogen, and at least one electron donor, the electron donor being a 2-substituted amino-phenyl ester compound selected from general formula (I). Also disclosed in the present invention are a catalyst comprising the solid catalyst component, and an application for the catalyst in olefin polymerisation, particularly in propylene polymerization. Also provided in the present invention is a high activity catalyst, said catalyst being able to obtain polypropylene of high isotacticity and wide molecular weight distribution, and not requiring an external electron donor to obtain high isotacticity polypropylene; during polymerization, Al/Ti and Al/Si are reduced, the polymerization time is lengthened, and high activity can still be maintained, suitable for producing low-ash polymers.
• Discovery of new low-molecular-weight p53–Mdmx disruptors and their anti-cancer activities
  作者：Shinichi Uesato、Yoshihiro Matsuura、Saki Matsue、Takaaki Sumiyoshi、Yoshiyuki Hirata、Suzuho Takemoto、Yasuyuki Kawaratani、Yusuke Yamai、Kyoji Ishida、Tsutomu Sasaki、Masato Enari

  DOI：10.1016/j.bmc.2016.03.021

  日期：2016.4

  Although several p53-Mdm2-binding disruptors have been identified to date, few studies have been published on p53-Mdmx-interaction inhibitors. In the present study, we demonstrated that o-aminothiophenol derivatives with molecular weights of 200-300 selectively inhibited the p53-Mdmx interaction. S-2-Isobutyramidophenyl 2-methylpropanethioate (K-178) (1c) activated p53, up-regulated the expression of its downstream genes such as p21 and Mdm2, and preferentially inhibited the growth of cancer cells with wild-type p53 over those with mutant p53. Furthermore, we found that the S-isobutyryl-deprotected forms 1b and 3b of 1c and S-2-benzamidophenyl 2-methylpropanethioate (K-181) (3c) preferentially inhibited the p53-Mdmx interaction over the p53-Mdm2 interaction, respectively, by using a Flag-p53 and glutathione S-transferase (GST)-fused protein complex (Mdm2, Mdmx, DAPK1, or PPID). In addition, the interaction of p53 with Mdmx was lost by replacing a sulfur atom with an oxygen atom in 1b and 1c. These results suggest that sulfides such as 1b, 3b, 4b, and 5b interfere with the binding of p53-Mdmx, resulting in the dissociation of the two proteins. Furthermore, the results of oral administration experiments using xenografts in nude mice indicated that 1c reduced the volume of tumor masses to 49.0% and 36.6% that of the control at 100 mg/kg and 150 mg/kg, respectively, in 40 days. (C) 2016 Elsevier Ltd. All rights reserved.