5-[1-(3-Chloromethyl-phenyl)-1-pyridin-3-yl-meth-(E)-ylideneaminooxy]-pentanoic acid ethyl ester | 462656-34-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 5-[1-(3-Chloromethyl-phenyl)-1-pyridin-3-yl-meth-(E)-ylideneaminooxy]-pentanoic acid ethyl ester
• CAS: 462656-34-4
• 化学式: C₂₀H₂₃ClN₂O₃
• 分子量: 374.867
• InChiKey: OWQZPTVQRBPAPW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.32
• 重原子数：
  26.0
• 可旋转键数：
  10.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  60.78
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  Piperazin-1-yl-(2-pyridin-3-yl-thiazolidin-4-yl)-methanone 、 5-[1-(3-Chloromethyl-phenyl)-1-pyridin-3-yl-meth-(E)-ylideneaminooxy]-pentanoic acid ethyl ester 在 18-冠醚-6 、 potassium carbonate 作用下， 以 四氢呋喃 为溶剂， 生成 5-[1-Pyridin-3-yl-1-{3-[4-(2-pyridin-3-yl-thiazolidine-4-carbonyl)-piperazin-1-ylmethyl]-phenyl}-meth-(E)-ylideneaminooxy]-pentanoic acid ethyl ester
  参考文献：
  名称：

  Approach to dual-acting platelet activating factor (PAF) receptor antagonist/thromboxane synthase inhibitor (TxSI) based on the link of PAF antagonists and TxSIs

  摘要：

  A series of compounds (22-36) which possess dual-acting PAF antagonist/TxSI have been generated by the approach of linking the known PAF antagonists and TxSIs, such as Ridogrel (1). (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00731-4
• 作为产物：
  描述：

  3-吡啶甲醛 在 吡啶 、 manganese(IV) oxide 、 正丁基锂 、 氯化亚砜 、 盐酸羟胺 、 四丁基氟化铵 、 sodium hydride 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 5-[1-(3-Chloromethyl-phenyl)-1-pyridin-3-yl-meth-(E)-ylideneaminooxy]-pentanoic acid ethyl ester
  参考文献：
  名称：

  Approach to dual-acting platelet activating factor (PAF) receptor antagonist/thromboxane synthase inhibitor (TxSI) based on the link of PAF antagonists and TxSIs

  摘要：

  A series of compounds (22-36) which possess dual-acting PAF antagonist/TxSI have been generated by the approach of linking the known PAF antagonists and TxSIs, such as Ridogrel (1). (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00731-4

文献信息

• Novel Agents Combining Platelet Activating Factor (PAF) Receptor Antagonist with Thromboxane Synthase Inhibitor (TxSI)
  作者：Masakazu Fujita、Taketsugu Seki、Haruaki Inada、Kazuhiro Shimizu、Akane Takahama、Tetsuro Sano

  DOI：10.1016/s0960-894x(02)00005-7

  日期：2002.3

  Compounds 1 or 2 which possess dual-acting PAF antagonist/TxSI in a previous paper were modified and evaluated for the dual-acting activity. It was found that several compounds were potent dual-acting PAF antagonist/TxSI in and ex vivo. 6-(2-Chlorophenyl)-3-[4-[(E /Z)-6-ethoxvcarbonyl-1-(3-pyridyl)-1-hexenyl]phenylmethyl]-8,11-dimethyl-2,3.4,5-tetrahydro-8H-pyrido[4',3': 4.5]thieno[3.2-f][1,2,4]triazolo[4,3-a][1.4]diazepine (12) is excellent orally dual-acting PAF antagonist/TxSI. (C) 2002 Elsevier Science Ltd. All rights reserved.
• Syntheses and bioactivities of novel carbamates combining platelet activating factor (PAF) receptor antagonist with thromboxane synthase inhibitor (TxSI)
  作者：Masakazu Fujita、Taketsugu Seki

  DOI：10.1016/s0960-894x(02)00186-5

  日期：2002.5

  Synthesis of carbarnates 3b which possess dual-acting PAF antagonist/TxSI using unstable esters 1, diazepines 2, K2CO3 and 18-crown-6 is described. (C) 2002 Published by Elsevier Science Ltd.