1-(4-aminophenyl)ethan-1-one O-methyl oxime | 915394-30-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(4-aminophenyl)ethan-1-one O-methyl oxime
• 英文别名: 1-(4-Aminophenyl)-ethanone O-methyl-oxime；1-(4-Aminophenyl)-ethanone-o-methyl-oxime；4-(N-methoxy-C-methylcarbonimidoyl)aniline
• CAS: 915394-30-8
• 化学式: C₉H₁₂N₂O
• mdl: MFCD24389334
• 分子量: 164.207
• InChiKey: GBTCFTYIWMOWMO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  47.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(4-aminophenyl)ethan-1-one O-methyl oxime 、 4-Chloro-6-(5-bromo-2-ethoxy-phenyl)-pyrimidin-2-ylamine 在 盐酸 作用下， 以 1,4-二氧六环 、 乙醇 为溶剂， 反应 1.0h， 生成 1-{4-[2-Amino-6-(5-bromo-2-ethoxy-phenyl)-pyrimidin-4-ylamino]-phenyl}-ethanone O-methyl-oxime
  参考文献：
  名称：

  Synthesis, SAR, and antitumor properties of diamino- C , N -diarylpyrimidine positional isomers: inhibitors of lysophosphatidic acid acyltransferase-β

  摘要：

  2,4-Diamino-N-4,6-diarylpyrimidines were identified as potent, isoform specific inhibitors of lysophosphatidic acid acyltransferase-beta (LPAAT-beta). Active inhibitors also blocked proliferation of tumor cell lines in vitro. The effect of 2j in an in vivo tumor model was investigated. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.01.104
• 作为产物：
  描述：

  4-氨基苯乙酮 、 甲氧基胺盐酸盐 、 盐酸 在 乙酸乙酯 、 水 、 Sodium sulfate-III 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以yielded 1-(4-aminophenyl)-ethanone-O-methyl-oxime (700 mg, 89%) as a solid的产率得到1-(4-aminophenyl)ethan-1-one O-methyl oxime
  参考文献：
  名称：

  Antifungal agents

  摘要：

  公式（I）的化合物及其药学上可接受的盐可以用于治疗，例如作为抗真菌剂：（I）其中：R1，R2，R3，R4，R5，R6，R7，X和X1如所定义。同时还提供了某些公式（I）的化合物。公式（T）的化合物及其农业上可接受的盐也可以用作农业杀菌剂。

  公开号：

  US08486962B2

文献信息

• Antifungal Agents
  申请人：Thomson Samantha Patricia

  公开号：US20080161302A1

  公开（公告）日：2008-07-03

  Compounds of formula (I), and pharmaceutically acceptable salts thereof, may be used in therapy, for example as antifungal agents: (I) wherein: R1, R2, R3, R4, R5, R6, R7, X and X 1 are as defined herein. Certain compounds of formula (I) are also provided. Compounds of formula (T), and agriculturally acceptable salts thereof, may also be used as agricultural fungicides.

  式(I)的化合物及其药学上可接受的盐可用于治疗，例如作为抗真菌剂：其中：R1、R2、R3、R4、R5、R6、R7、X和X1如此定义。还提供了式(I)的某些化合物。式(T)的化合物及其农业上可接受的盐也可用作农业杀菌剂。
• Killing two birds with one stone: phosphorylation by a tabun mimic and subsequent capture of cyanide using a single fluorescent chemodosimeter
  作者：Rashid Mia、Peter J. Cragg、Frank R. Fronczek、Karl J. Wallace

  DOI：10.1039/d2nj04014j

  日期：——

  In the presence of the tabun mimic diethylcyanophosphonate (DECP), a fluorescent bifunctional coumarin–enamine chemodosimeter is first phosphorylated and subsequently attacked by the released cyanide ions.

  在塔崩模拟物氰基膦酸二乙酯（DECP）的作用下，荧光双功能香豆素-烯胺化学计量器首先被磷酸化，随后被释放出的氰离子攻击。
• Synthesis, SAR, and antitumor properties of diamino- C , N -diarylpyrimidine positional isomers: inhibitors of lysophosphatidic acid acyltransferase-β
  作者：Baoqing Gong、Feng Hong、Cory Kohm、Scott Jenkins、John Tulinsky、Rama Bhatt、Peter de Vries、Jack W Singer、Peter Klein

  DOI：10.1016/j.bmcl.2004.01.104

  日期：2004.5

  2,4-Diamino-N-4,6-diarylpyrimidines were identified as potent, isoform specific inhibitors of lysophosphatidic acid acyltransferase-beta (LPAAT-beta). Active inhibitors also blocked proliferation of tumor cell lines in vitro. The effect of 2j in an in vivo tumor model was investigated. (C) 2004 Elsevier Ltd. All rights reserved.
• Antifungal agents
  申请人：Thomson Samantha Patricia

  公开号：US08486962B2

  公开（公告）日：2013-07-16

  Compounds of formula (I), and pharmaceutically acceptable salts thereof, may be used in therapy, for example as antifungal agents: (I) wherein: R1, R2, R3, R4, R5, R6, R7, X and X1 are as defined herein. Certain compounds of formula (I) are also provided. Compounds of formula (T), and agriculturally acceptable salts thereof, may also be used as agricultural fungicides.

  公式（I）的化合物及其药学上可接受的盐可以用于治疗，例如作为抗真菌剂：（I）其中：R1，R2，R3，R4，R5，R6，R7，X和X1如所定义。同时还提供了某些公式（I）的化合物。公式（T）的化合物及其农业上可接受的盐也可以用作农业杀菌剂。