2-Chloro-5-ethylbenzo[d]oxazole | 256519-15-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 英文名称: 2-Chloro-5-ethylbenzo[d]oxazole
• 英文别名: 2-chloro-5-ethyl-1,3-benzoxazole
• CAS: 256519-15-0
• 化学式: C₉H₈ClNO
• 分子量: 181.622
• InChiKey: FSSSPMJNIVDADB-UHFFFAOYSA-N

物化性质

• 沸点：
  240.9±9.0 °C(Predicted)
• 密度：
  1.258±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  26
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-Chloro-5-ethylbenzo[d]oxazole 在 sodium hydroxide 、 一水合肼 作用下， 以 四氢呋喃 、 1,4-二氧六环 为溶剂， 反应 1.0h， 生成 3-[Amino-(5-ethyl-1,3-benzoxazol-2-yl)amino]propanenitrile
  参考文献：
  名称：

  3-[1-(2-Benzoxazolyl)hydrazino]propanenitrile derivatives: inhibitors of immune complex induced inflammation

  摘要：

  3-[1-(2-Benzoxazolyl)hydrazino]propanenitrile derivatives were evaluated in the dermal and pleural reverse passive Arthus reactions in the rat. In the pleural test these compounds were effective in reducing exudate volume and accumulation of white blood cells. This pattern of activity was similar to that of hydrocortisone and different from that of indomethacin. The structural requirements for inhibiting the Arthus reactions were studied by systematic chemical modification of 1. These structure-activity relationship studies revealed that nitrogen 1' of the hydrazino group is essential for activity and must be electron rich, whereas chemical modifications of other sites of 1 had only a modest effect on activity.

  DOI：

  10.1021/jm00117a010
• 作为产物：
  描述：

  5-Ethyl-2(3H)-benzo[D]oxazolethione 在 五氯化磷 作用下， 以 苯 为溶剂， 反应 2.0h， 生成 2-Chloro-5-ethylbenzo[d]oxazole
  参考文献：
  名称：

  3-[1-(2-Benzoxazolyl)hydrazino]propanenitrile derivatives: inhibitors of immune complex induced inflammation

  摘要：

  3-[1-(2-Benzoxazolyl)hydrazino]propanenitrile derivatives were evaluated in the dermal and pleural reverse passive Arthus reactions in the rat. In the pleural test these compounds were effective in reducing exudate volume and accumulation of white blood cells. This pattern of activity was similar to that of hydrocortisone and different from that of indomethacin. The structural requirements for inhibiting the Arthus reactions were studied by systematic chemical modification of 1. These structure-activity relationship studies revealed that nitrogen 1' of the hydrazino group is essential for activity and must be electron rich, whereas chemical modifications of other sites of 1 had only a modest effect on activity.

  DOI：

  10.1021/jm00117a010

文献信息

• FKBP inhibitors
  申请人：Pfizer Inc.

  公开号：US20040058905A1

  公开（公告）日：2004-03-25

  Compounds of formula (I), their salts and solvates, wherein the substituents are as described herein, are FKBP inhibitors. 1

  公式（I）的化合物，其盐和溶剂化物，在其中取代基如此描述，是FKBP抑制剂。
• Regulatory molecules for the 5-HT3 receptor ion channel gating system
  作者：Satoshi Yoshida、Takashi Watanabe、Yasuo Sato

  DOI：10.1016/j.bmc.2007.02.054

  日期：2007.5

  Substituted benzoxazole derivatives which possess a nitrogen containing heterocycle at C2 are selective partial agonists of the 5-HT3 receptor. Alteration of substituents on the benzoxazole nucleus affords both agonist-like and antagonist-like compounds, and uniquely modifies the function of the 5-HT3 receptor ion channel gating system. SAR and corroborative computational docking study for these partial agonists successfully explained structure and function of the 5-HT3 receptor. (c) 2007 Elsevier Ltd. All rights reserved.
• HAVIV, FORTUNA;RATAJCZYK, JAMES D.;DENET, ROBERT W.;KERDESKY, FRANCIS A.;+, J. MED. CHEM., 31,(1988) N 9, C. 1719-1728
  作者：HAVIV, FORTUNA、RATAJCZYK, JAMES D.、DENET, ROBERT W.、KERDESKY, FRANCIS A.、+

  DOI：——

  日期：——
• FKBP INHIBITORS
  申请人：Pfizer Limited

  公开号：EP1098894A1

  公开（公告）日：2001-05-16
• US6166011A
  申请人：——

  公开号：US6166011A

  公开（公告）日：2000-12-26