2-(2-氧代-1,3-苯并恶唑-3-基)乙酸甲酯 | 13610-50-9

• 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
• 中文名称: 2-(2-氧代-1,3-苯并恶唑-3-基)乙酸甲酯
• 英文名称: Benzoxazolonyl-(3)-essigsaeure-methylester
• 英文别名: (2-oxo-benzooxazol-3-yl)-acetic acid methyl ester；(2-Oxobenzooxazol-3-yl)-acetic acid methyl ester；methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
• CAS: 13610-50-9
• 化学式: C₁₀H₉NO₄
• mdl: MFCD02197881
• 分子量: 207.186
• InChiKey: LJBQUEFIEOBTIK-UHFFFAOYSA-N

物化性质

• 熔点：
  89 °C
• 沸点：
  322.8±44.0 °C(Predicted)
• 密度：
  1.339±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  55.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(2-氧代-1,3-苯并恶唑-3-基)乙酸甲酯 在 甲醇 、 4-二甲氨基吡啶 、 水 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 lithium hydroxide 作用下， 以 二氯甲烷 为溶剂， 生成 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide
  参考文献：
  名称：

  Indolyl and dihydroindolyl N-glycinamides as potent and in vivo active NPY5 antagonists

  摘要：

  A novel series of indolyl and dihydroindolyl glycinamides were identified as potent NPY5 antagonists with in vivo activity from screen hit 1. The dihydroindolyl glycinamide 10a significantly inhibits NPY5 agonist induced feeding at a dose of 0.1 mg/kg. The indolyl glycinamide 12c also inhibits NPY5 agonist induced feeding at a dose of 1 mg/kg. Both compounds 10a and 12c represent potential tools for further investigation into the biology of the NPY5 receptor. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.01.117
• 作为产物：
  描述：

  2-苯并唑啉酮 、 溴乙酸甲酯 在 四丁基溴化铵 、 potassium hydroxide 作用下， 以 四氢呋喃 为溶剂， 生成 2-(2-氧代-1,3-苯并恶唑-3-基)乙酸甲酯
  参考文献：
  名称：

  Indolyl and dihydroindolyl N-glycinamides as potent and in vivo active NPY5 antagonists

  摘要：

  A novel series of indolyl and dihydroindolyl glycinamides were identified as potent NPY5 antagonists with in vivo activity from screen hit 1. The dihydroindolyl glycinamide 10a significantly inhibits NPY5 agonist induced feeding at a dose of 0.1 mg/kg. The indolyl glycinamide 12c also inhibits NPY5 agonist induced feeding at a dose of 1 mg/kg. Both compounds 10a and 12c represent potential tools for further investigation into the biology of the NPY5 receptor. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.01.117

文献信息

• [EN] PIPERAZINE DERIVATIVE RENIN INHIBITORS<br/>[FR] DERIVES DE PIPERAZINE AGISSANT COMME INHIBITEURS DE LA RENINE
  申请人：WARNER LAMBERT CO

  公开号：WO2004089915A1

  公开（公告）日：2004-10-21

  Disclosed are piperazine derivatives, their manufacture and use as inhibitors of renin. Formula (I):

  揭示了哌嗪衍生物，它们的制备以及作为肾素抑制剂的用途。化学式（I）：
• Piperazine derivative renin inhibitors
  申请人：——

  公开号：US20040214832A1

  公开（公告）日：2004-10-28

  Disclosed are piperazine derivatives, their manufacture and use as inhibitors of renin.

  本发明涉及哌嗪衍生物，它们的制备和用途作为肾素抑制剂。
• Zinner,H. et al., Journal fur praktische Chemie (Leipzig 1954), 1966, vol. 33, p. 130 - 138
  作者：Zinner,H. et al.

  DOI：——

  日期：——
• US7244763B2
  申请人：——

  公开号：US7244763B2

  公开（公告）日：2007-07-17
• Indolyl and dihydroindolyl N-glycinamides as potent and in vivo active NPY5 antagonists
  作者：Lingyun Wu、Kai Lu、Mathivanan Packiarajan、Vrej Jubian、Gamini Chandrasena、Toni C. Wolinsky、Mary W. Walker

  DOI：10.1016/j.bmcl.2012.01.117

  日期：2012.3

  A novel series of indolyl and dihydroindolyl glycinamides were identified as potent NPY5 antagonists with in vivo activity from screen hit 1. The dihydroindolyl glycinamide 10a significantly inhibits NPY5 agonist induced feeding at a dose of 0.1 mg/kg. The indolyl glycinamide 12c also inhibits NPY5 agonist induced feeding at a dose of 1 mg/kg. Both compounds 10a and 12c represent potential tools for further investigation into the biology of the NPY5 receptor. (C) 2012 Elsevier Ltd. All rights reserved.