2-(4-(2-氧代吡咯烷-1-基)苯氧基)乙酸 | 871673-06-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 中文名称: 2-(4-(2-氧代吡咯烷-1-基)苯氧基)乙酸
• 英文名称: 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetic acid
• CAS: 871673-06-2
• 化学式: C₁₂H₁₃NO₄
• mdl: MFCD00440779
• 分子量: 235.24
• InChiKey: ZJAZOQRDYBOLBW-UHFFFAOYSA-N

物化性质

• 沸点：
  533.0±30.0 °C(Predicted)
• 密度：
  1.339±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  66.8
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2933790090

反应信息

• 作为反应物：
  描述：

  2-(4-(2-氧代吡咯烷-1-基)苯氧基)乙酸 在 哌啶 、 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 二氯甲烷 为溶剂， 反应 1.33h， 生成
  参考文献：
  名称：

  Design, Synthesis, and Properties of a Potent Inhibitor of Pseudomonas aeruginosa Deacetylase LpxC

  摘要：

  Over the past several decades, the frequency of antibacterial resistance in hospitals, including multidrug resistance (MDR) and its association with serious infectious diseases, has increased at alarming rates. Pseudomonas aeruginosa is a leading cause of nosocomial infections, and resistance to virtually all approved antibacterial agents is emerging in this pathogen. To address the need for new agents to treat MDR P. aeruginosa, we focused on inhibiting the first committed step in the biosynthesis of lipid A, the deacetylation of uridyldiphospho-3-O-(R-hydroxydecanoyl)-N-acetylglucosamine by the enzyme LpxC. We approached this through the design, synthesis, and biological evaluation of novel hydroxamic acid LpxC inhibitors, exemplified by 1, where cytotoxicity against mammalian cell lines was reduced, solubility and plasma-protein binding were improved while retaining potent anti-pseudomonal activity in vitro and in vivo.

  DOI：

  10.1021/acs.jmedchem.7b00377

文献信息

• ACTIVATOR OF ADIPONECTIN RECEPTOR
  申请人：THE UNIVERSITY OF TOKYO

  公开号：US20160214967A1

  公开（公告）日：2016-07-28

  An AdipoR activator for activating both AdipoR1 and AdipoR2 is provided. A compound represented by the following formula (1), wherein A is a substituted or unsubstituted aryl group or the like, Y 1 is (CHR 2 ) a — or the like, X is CH or N, R 1 is a C 1-7 alkyl group, m is an integer of 0-4, Y 2 is *—O—CH 2 —CONH—, *—CONH—(CH 2 ) b —CO— or the like, Z is a cyclic group, B may be a substituent of the cyclic group represented by Z, and n is an integer of 0-3.

  提供了一种用于激活AdipoR1和AdipoR2的AdipoR激活剂。以下式（1）表示的化合物，其中A是取代或未取代的芳基或类似物，Y1是（CHR2）a—或类似物，X是CH或N，R1是C1-7烷基基团，m是0-4的整数，Y2是*—O—CH2—CONH—，*—CONH—（ ）b—CO—或类似物，Z是环基团，B可以是Z代表的环基团的取代基，n是0-3的整数。
• ADIPONECTIN RECEPTOR-ACTIVATING COMPOUND
  申请人：The University of Tokyo

  公开号：EP3053911A1

  公开（公告）日：2016-08-10

  An AdipoR activator for activating both AdipoR1 and AdipoR2 is provided. A compound represented by the following formula (1), wherein A is a substituted or unsubstituted aryl group or the like, Y1 is (CHR2)a- or the like, X is CH or N, R1 is a C1-7 alkyl group, m is an integer of 0-4, Y2 is *-O-CH2-CONH-, *-CONH-(CH2)b-CO- or the like, Z is a cyclic group, B may be a substituent of the cyclic group represented by Z, and n is an integer of 0-3.

  本发明提供了一种可同时激活 AdipoR1 和 AdipoR2 的 AdipoR 激活剂。一种由下式（1）代表的化合物，其中 A 是取代或未取代的芳基或类似物，Y1 是 (CHR2)a- 或类似物，X 是 CH 或 N，R1 是 C1-7 烷基，m 是 0-4 的整数，Y2 是 *-O-CH2-CONH-、*-CONH-( )b-CO- 或类似物，Z 是环状基团，B 可以是 Z 所代表的环状基团的取代基，n 是 0-3 的整数。