2-(3,6-Bis(ethylamino)-2,7-dimethyl-3H-xanthen-9-yl)benzoic acid

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 新黄酮类化合物
• 英文名称: 2-(3,6-Bis(ethylamino)-2,7-dimethyl-3H-xanthen-9-yl)benzoic acid
• 英文别名: 2-[3,6-bis(ethylamino)-2,7-dimethyl-3H-xanthen-9-yl]benzoic acid
• 化学式: C₂₆H₂₈N₂O₃
• 分子量: 416.5
• InChiKey: QYRLVPCITNDVDS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  70.6
• 氢给体数：
  3
• 氢受体数：
  5

文献信息

• MOFEZOLAC DERIVATIVES AS MULTI-FUNCTIONS SELECTIVE COX-1 INHIBITORS
  申请人：UNIVERSITÁ DEGLI STUDI DI BARI "ALDO MORO"

  公开号：US20190111025A1

  公开（公告）日：2019-04-18

  Multi-functions Selective COX inhibitors The invention relates to a new class of compounds targeting COX-1. The invention also relates to the use of some of such compounds as a tool to investigate the structure and function of the enzyme, in the treatment targeting COX-1 or detection of COX-1 in relating disorders or diseases such as cancer and neuroinflammation, in particular in neurological (e.g. autism spectrum disorders) and neurodegenerative diseases (e.g. Alzheimer's diseases, Parkinson's diseases, amyotrophic lateral sclerosis (ALS), multiple sclerosis (MS), traumatic brain injury (TBI), HIV dementia and prion diseases), and in gynecological tumour (e.g. ovarian cancer), neck and head tumor, and haematological tumours (e.g. multiple myeloma) and in the detection of COX-1 in “in vitro” (cells and tissues) and in “in vivo”.