3-chloro-4-hydroxy-N-[(E)-[3-methoxy-4-[[4-(methylcarbamoyl)phenyl]methoxy]phenyl]methylideneamino]benzamide | 1222776-96-6

• 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: 3-chloro-4-hydroxy-N-[(E)-[3-methoxy-4-[[4-(methylcarbamoyl)phenyl]methoxy]phenyl]methylideneamino]benzamide
• CAS: 1222776-96-6
• 化学式: C₂₄H₂₂ClN₃O₅
• 分子量: 467.909
• InChiKey: PADFWWFXEQVDOR-UVHMKAGCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  33
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  109
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  、 3-chloro-4-hydroxybenzoic acid hydrazide 生成 3-chloro-4-hydroxy-N-[(E)-[3-methoxy-4-[[4-(methylcarbamoyl)phenyl]methoxy]phenyl]methylideneamino]benzamide
  参考文献：
  名称：

  Discovery and SAR of hydrazide antagonists of the pituitary adenylate cyclase-activating polypeptide (PACAP) receptor type 1 (PAC1-R)

  摘要：

  Potent small molecule antagonists for the PAC(1)-R have been discovered. Previously known antagonists for the PAC(1)-R were slightly truncated peptide ligands. The hydrazides reported here are the first small molecule antagonists ever reported for this class B GPCR. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.01.052