2-ethoxy-benzaldehyde-oxime | 154238-40-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-ethoxy-benzaldehyde-oxime
• 英文别名: 2-Aethoxy-benzaldehyd-oxim；N-[(2-ethoxyphenyl)methylidene]hydroxylamine；(NE)-N-[(2-ethoxyphenyl)methylidene]hydroxylamine
• CAS: 154238-40-1
• 化学式: C₉H₁₁NO₂
• mdl: MFCD01043206
• 分子量: 165.192
• InChiKey: WZRKOXBTHOWETA-JXMROGBWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  41.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-ethoxy-benzaldehyde-oxime 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 反应 144.0h， 生成 3-[1-(2-Ethoxy-phenyl)-meth-(E)-ylideneaminooxy]-propionic acid
  参考文献：
  名称：

  Synthesis, antiinflammatory activity and molecular orbital studies of a series of benzylideneaminoxypropionic acids substituted on the phenyl ring

  摘要：

  An examination of the antiinflammatory properties of certain beta-aminoxypropionic acids A (AOPAs) previously synthe- sized as analogs of antiinflammatory drugs with an arylacetic structure B (ArAAs), indicated that the most active acid is the (E)-3-(benzylideneaminoxy)-propionic acid (1), which was found to possess an activity comparable to that of Diclofenac (8). In an attempt to verify whether appropriate substitutions on the aromatic ring of 1 can modulate the antiinflammatory properties of this class of drugs, a series of benzylideneaminoxypropionic acids (BAOPAs) were synthesized, in which the phenyl group is substituted, in its 3 possible positions, by groups possessing different electronic, steric, and lipophilic characteristics. The antiinflammatory activity of the new compounds was determined by carrageenan-induced rat paw edema, using Diclofenac (8) as the reference drug. The pharmacological results revealed that among the BAOPAs examined, the most active are the m-chloro (7b) and p-ethoxy (7p) substituted compounds, which exhibit an antiinflammatory activity comparable to that of 1. Quantum mechanical calculations were also carried out in order to gain insight into the possible correlations between the pharmacological activity observed and the electronic and conformational effects induced by the presence of the various substituents.

  DOI：

  10.1016/0223-5234(94)90123-6
• 作为产物：
  描述：

  2-乙氧基苯甲醛 在 盐酸羟胺 、 sodium carbonate 作用下， 生成 2-ethoxy-benzaldehyde-oxime
  参考文献：
  名称：

  Loew, Monatshefte fur Chemie, 1891, vol. 12, p. 396

  摘要：

  DOI：

文献信息

• [DE] SUBSTITUIERTE PYRIMIDINE<br/>[EN] SUBSTITUTED PYRIMIDINES<br/>[FR] PYRIMIDINES SUBSTITUEES
  申请人：BAYER CROPSCIENCE AG

  公开号：WO2004067518A1

  公开（公告）日：2004-08-12

  Die Erfindung betrifft neue substituierte Pyrimidine der Formel (I), in welcher R1, R2, R3, R4, Q, X und n die in der Beschreibung angegebene Bedeutung haben,sowie Verfahren und Zwischenprodukte zu ihrer Herstellung und ihre Verwendung als Pflanzenbehandlungsmittel, insbesondere als Herbizide.

  这项发明涉及新的取代嘧啶化合物，其化学式为（I），其中R1、R2、R3、R4、Q、X和n具有描述中所指定的含义，以及用于其制备的方法、中间体和作为植物处理剂的用途，特别是作为除草剂。
• Pyrimidine derivatives as modulators of insulin-like growth factor-1 receptor (igf-i)
  申请人：Barlaam Bernard

  公开号：US20050054638A1

  公开（公告）日：2005-03-10

  The invention provides compounds of formula in which R 1 , R 2 , R 3 and R 4 have the meanings defined in the specification; processes for the preparation; pharmaceutical compositions containing them; a process for preparing the pharmaceutical compositions; and their use in therapy.

  该发明提供了公式中R1，R2，R3和R4具有规范中定义的含义的化合物；制备过程；包含它们的制药组合物；制备制药组合物的过程；以及它们在治疗中的使用。
• Inhibitors of serine proteases
  申请人：Cottrell M. Kevin

  公开号：US20070179167A1

  公开（公告）日：2007-08-02

  The present invention relates to compounds of formula I: or a pharmaceutically acceptable salt or mixtures thereof that inhibit serine protease activity, particularly the activity of hepatitis C virus NS3-NS4A protease.

  本发明涉及式I的化合物：或其药物可接受的盐或混合物，其抑制丝氨酸蛋白酶活性，特别是乙型肝炎病毒NS3-NS4A蛋白酶的活性。
• INHIBITORS OF SERINE PROTEASES
  申请人：Cottrell Kevin M.

  公开号：US20110165120A1

  公开（公告）日：2011-07-07

  The present invention relates to compounds of formula I: or a pharmaceutically acceptable salt or mixtures thereof that inhibit serine protease activity, particularly the activity of hepatitis C virus NS3-NS4A protease.

  本发明涉及式I的化合物：或其药学上可接受的盐或混合物，其抑制丝氨酸蛋白酶活性，特别是乙型肝炎病毒NS3-NS4A蛋白酶的活性。
• NOVEL COMPOUNDS
  申请人：Barlaam Bernard

  公开号：US20120095011A1

  公开（公告）日：2012-04-19

  The invention provides compounds of formula in which R 1 , R 2 , R 3 and R 4 have the meanings defined in the specification; processes for their preparation; pharmaceutical compositions containing them; a process for preparing the pharmaceutical compositions; and their use in therapy.

  本发明提供的化合物具有公式，其中R1，R2，R3和R4具有规范中定义的含义；制备它们的过程；包含它们的制药组合物；制备制药组合物的过程；以及它们在治疗中的使用。