4-[[[3-[[[3,5-Bis[(3,4-disulfoanilino)-oxomethyl]anilino]-oxomethyl]amino]-5-[(3,4-disulfoanilino)-oxomethyl]phenyl]-oxomethyl]amino]benzene-1,2-disulfonic acid

• 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: 4-[[[3-[[[3,5-Bis[(3,4-disulfoanilino)-oxomethyl]anilino]-oxomethyl]amino]-5-[(3,4-disulfoanilino)-oxomethyl]phenyl]-oxomethyl]amino]benzene-1,2-disulfonic acid
• 英文别名: 4-[[3-[[3,5-bis[(3,4-disulfophenyl)carbamoyl]phenyl]carbamoylamino]-5-[(3,4-disulfophenyl)carbamoyl]benzoyl]amino]benzene-1,2-disulfonic acid
• 化学式: C₄₁H₃₂N₆O₂₉S₈
• 分子量: 1329.3
• InChiKey: CPISLWFLHGUZHF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.2
• 重原子数：
  84
• 可旋转键数：
  18
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  660
• 氢给体数：
  14
• 氢受体数：
  29

文献信息

• COMPOSITIONS AND METHODS FOR THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION
  申请人：The Regents of the University of Michigan

  公开号：US20190160029A1

  公开（公告）日：2019-05-30

  Provided herein are compositions and methods for the treatment of pulmonary arterial hypertension. In particular, compositions and methods are provided that address purinergic dysregulation, the causes thereof, and/or the effect of downstream targets.