7-[[1-Methyl-4-[[1-methyl-5-[[1-methyl-2-[[1-methyl-5-[(4,6,8-trisulfonaphthalen-2-yl)carbamoyl]pyrrol-3-yl]carbamoyl]indol-5-yl]carbamoylamino]indole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]naphthalene-1,3,5-trisulfonic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 7-[[1-Methyl-4-[[1-methyl-5-[[1-methyl-2-[[1-methyl-5-[(4,6,8-trisulfonaphthalen-2-yl)carbamoyl]pyrrol-3-yl]carbamoyl]indol-5-yl]carbamoylamino]indole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]naphthalene-1,3,5-trisulfonic acid
• 英文别名: 7-[[1-methyl-4-[[1-methyl-5-[[1-methyl-2-[[1-methyl-5-[(4,6,8-trisulfonaphthalen-2-yl)carbamoyl]pyrrol-3-yl]carbamoyl]indol-5-yl]carbamoylamino]indole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]naphthalene-1,3,5-trisulfonic acid
• 化学式: C₅₃H₄₄N₁₀O₂₃S₆
• 分子量: 1381.4
• InChiKey: YHGXZVDRRHMBGH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  92
• 可旋转键数：
  16
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  554
• 氢给体数：
  12
• 氢受体数：
  23

文献信息

• NOVEL UREIDO DERIVATIVES OF NAPHTHALENESULFONIC ACIDS
  申请人：NeED PHARMACEUTICALS S.r.l.

  公开号：US20160159778A1

  公开（公告）日：2016-06-09

  Objects of the present invention are novel ureido derivatives of naphthalensulfonic acids, pharmaceutical compositions comprising such derivatives, a process for the preparation thereof and the use of said derivatives as medications, in particular in the treatment of HIV infections. Formula (I):

  本发明的对象是萘磺酸的新型尿素衍生物，包括这种衍生物的药物组合物，其制备过程以及将这些衍生物用作药物，特别是用于治疗HIV感染。 公式（I）：