Cambridge id 5362810

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: Cambridge id 5362810
• 英文别名: 4-(4-chlorophenoxy)butyl thiocyanate
• 化学式: C₁₁H₁₂ClNOS
• 分子量: 241.74
• InChiKey: VLMJBTSTBYGATK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  58.3
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• NOVEL REGULATORS OF ALDEHYDE DEHYDROGENASE ALDH3A1 AND RELATED THERAPEUTIC METHODS
  申请人：Indiana University Research and Technology Corporation

  公开号：US20150202169A1

  公开（公告）日：2015-07-23

  Described herein are compositions and methods for the treatment of cancer, and in particular cancers characterized by a high level of ALD3H1 activity, which is associated with chemoresistance to cancer chemotherapeutic agents that are degraded by ALD3H1. The compositions described herein act as competitive inhibitors of ALD3H1 and thereby reduce breakdown of chemotherapeutics by this enzyme, and increase their efficacy for cancer treatment.
• US9320722B2
  申请人：——

  公开号：US9320722B2

  公开（公告）日：2016-04-26