Ethyl 2-(cyclobutylmethylamino)acetate | 1095504-91-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Ethyl 2-(cyclobutylmethylamino)acetate
• CAS: 1095504-91-8
• 化学式: C₉H₁₇NO₂
• 分子量: 171.239
• InChiKey: VYUAXHCWVCVONT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  12
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Ethyl 2-(cyclobutylmethylamino)acetate 在 lithium hydroxide monohydrate 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 为溶剂， 反应 22.0h， 生成 2-[cyclobutylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
  参考文献：
  名称：

  PHARMACEUTICALLY ACTIVE COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING PENDRIN

  摘要：

  The present invention relates to a novel compound as pendrin corrector represented by the following Chemical formula 1 and a composition for preventing or treating pendred syndrome and the related disease thereof comprising the same as an active ingredient:(I)

  公开号：

  WO2024144371A1
• 作为产物：
  描述：

  cyclobutylmethyl 4-methylbenzenesulfonate 、 甘氨酸乙酯盐酸盐 在 碳酸氢钠 作用下， 以 乙腈 为溶剂， 反应 18.0h， 生成 Ethyl 2-(cyclobutylmethylamino)acetate
  参考文献：
  名称：

  Peptide deformylase inhibitors with retro-amide scaffold: Synthesis and structure–activity relationships

  摘要：

  Peptide deformylase (PDF) is a metalloprotease catalyzing the removal of a formyl group from newly synthesized proteins. Thus inhibition of PDF activity is considered to be one of the most effective antibiotic strategies. Reported herein are the synthesis and structure-activity relationship studies of retro-amide inhibitors based on actinonin, a naturally occurring PDF inhibitor. Analysis of the structure-activity relationships led to the discovery of 7a, which exhibits potent enzyme inhibition and antibacterial activity against Streptococcus pneumoniae, Haemophilus influenzae, and Moraxella catarrhalis. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.06.088

文献信息

• Peptide deformylase inhibitors with retro-amide scaffold: Synthesis and structure–activity relationships
  作者：Seung Kyu Lee、Kwang Hyun Choi、Sang Jae Lee、Se Won Suh、B. Moon Kim、Bong Jin Lee

  DOI：10.1016/j.bmcl.2010.06.088

  日期：2010.8

  Peptide deformylase (PDF) is a metalloprotease catalyzing the removal of a formyl group from newly synthesized proteins. Thus inhibition of PDF activity is considered to be one of the most effective antibiotic strategies. Reported herein are the synthesis and structure-activity relationship studies of retro-amide inhibitors based on actinonin, a naturally occurring PDF inhibitor. Analysis of the structure-activity relationships led to the discovery of 7a, which exhibits potent enzyme inhibition and antibacterial activity against Streptococcus pneumoniae, Haemophilus influenzae, and Moraxella catarrhalis. (C) 2010 Elsevier Ltd. All rights reserved.
• PHARMACEUTICALLY ACTIVE COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING PENDRIN
  申请人：[en]ARBORMED CO., LTD.

  公开号：WO2024144371A1

  公开（公告）日：2024-07-04

  The present invention relates to a novel compound as pendrin corrector represented by the following Chemical formula 1 and a composition for preventing or treating pendred syndrome and the related disease thereof comprising the same as an active ingredient:(I)