3-(5-氯-2-甲氧基苯基)-3-氧丙腈 | 69316-10-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3-(5-氯-2-甲氧基苯基)-3-氧丙腈
• 英文名称: 3-(5-chloro-2-methoxyphenyl)-3-oxopropanenitrile
• 英文别名: 2-(5-Chlor-2-methoxy-benzoyl)-acetonitril
• CAS: 69316-10-5
• 化学式: C₁₀H₈ClNO₂
• 分子量: 209.632
• InChiKey: WMQXIOXLDHJGBJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  50.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(5-氯-2-甲氧基苯基)-3-氧丙腈 在 sodium hydride 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 为溶剂， 生成 methyl 3-acetamido-5-(5-chloro-2-methoxyphenyl)furan-2-carboxylate
  参考文献：
  名称：

  3-Substituted-(5-arylfuran-2-ylcarbonyl)guanidines as NHE-1 inhibitors

  摘要：

  The C-3 substituents effect on NHE-1 inhibitory activity of (5-arylfuran-2-ylcarbonyl)guanidines, previously identified as potent NHE-1 inhibitors, was investigated. The introduction of amine or alkyl groups at the 3-position of the furan ring, next to the acylguanidine moiety, remarkably improves NHE-1 inhibitory potency. Especially the important finding is that 5-(2,5-dichloro)phenyl and 5-(2-methoxy-5-chloro)phenyl derivatives exhibit high NHE-1 inhibitory activities (IC50 < 0.02 microM) that match those of 3-unsubstituted derivatives.

  DOI：

  10.1016/j.bmcl.2006.12.012
• 作为产物：
  描述：

  5-氯-2-甲氧基苯乙酮 在 溴 作用下， 以 乙醚 、 乙醇 、 水 为溶剂， 生成 3-(5-氯-2-甲氧基苯基)-3-氧丙腈
  参考文献：
  名称：

  3-Substituted-(5-arylfuran-2-ylcarbonyl)guanidines as NHE-1 inhibitors

  摘要：

  The C-3 substituents effect on NHE-1 inhibitory activity of (5-arylfuran-2-ylcarbonyl)guanidines, previously identified as potent NHE-1 inhibitors, was investigated. The introduction of amine or alkyl groups at the 3-position of the furan ring, next to the acylguanidine moiety, remarkably improves NHE-1 inhibitory potency. Especially the important finding is that 5-(2,5-dichloro)phenyl and 5-(2-methoxy-5-chloro)phenyl derivatives exhibit high NHE-1 inhibitory activities (IC50 < 0.02 microM) that match those of 3-unsubstituted derivatives.

  DOI：

  10.1016/j.bmcl.2006.12.012

文献信息

• [EN] COMPOUNDS<br/>[FR] COMPOSÉS
  申请人：CTXT PTY LTD

  公开号：WO2020002587A1

  公开（公告）日：2020-01-02

  A compound of formula (I), or a pharmaceutically acceptable salt thereof.

  式（I）的化合物，或其药用可接受的盐。
• DE2722416
  申请人：——

  公开号：——

  公开（公告）日：——
• COMPOUNDS
  申请人：CTXT Pty Limited

  公开号：EP3813813A1

  公开（公告）日：2021-05-05
• Compounds
  申请人：CTXT PTY LIMITED

  公开号：US20210213004A1

  公开（公告）日：2021-07-15

  A compound of formula (I), or a pharmaceutically acceptable salt thereof.
• 3-Substituted-(5-arylfuran-2-ylcarbonyl)guanidines as NHE-1 inhibitors
  作者：Sunkyung Lee、Taemi Kim、Byung Ho Lee、Sung-eun Yoo、Kyunghee Lee、Kyu Yang Yi

  DOI：10.1016/j.bmcl.2006.12.012

  日期：2007.3

  The C-3 substituents effect on NHE-1 inhibitory activity of (5-arylfuran-2-ylcarbonyl)guanidines, previously identified as potent NHE-1 inhibitors, was investigated. The introduction of amine or alkyl groups at the 3-position of the furan ring, next to the acylguanidine moiety, remarkably improves NHE-1 inhibitory potency. Especially the important finding is that 5-(2,5-dichloro)phenyl and 5-(2-methoxy-5-chloro)phenyl derivatives exhibit high NHE-1 inhibitory activities (IC50 < 0.02 microM) that match those of 3-unsubstituted derivatives.