3-[2-[7-[3,3-Dimethyl-1-(3-sulfopropyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethylindol-1-yl]propane-1-sulfonic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 3-[2-[7-[3,3-Dimethyl-1-(3-sulfopropyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethylindol-1-yl]propane-1-sulfonic acid
• 英文别名: 3-[2-[7-[3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethylindol-1-yl]propane-1-sulfonic acid
• 化学式: C33H41N2O6S2+
• 分子量: 625.8
• InChiKey: SEZCIHCCXBJRPY-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  43
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  132
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• ANTI-NEURODEGENERATIVE DISEASE AGENT
  申请人：Ohta Hitomi

  公开号：US20120035187A1

  公开（公告）日：2012-02-09

  The present invention has an object to provide a novel agent for anti-neurodegenerative diseases and solves the object by providing an agent for anti-neurodegenerative diseases containing, as an effective ingredient, the compound(s) represented by the following General formula 1: wherein in General formula 1, R 1 through R 3 independently represent a hydrogen atom or an appropriate substituent; Z 1 represents a heterocyclic ring and Z 2 represents the same or different heterocyclic or aromatic ring as in Z 1 , wherein the heterocyclic and aromatic rings optionally have a substituent; represents an integer of 0, 1 or 2; p represents an integer of 0 or 1, with the proviso that p is 1 when o is 0 or 2, and p is 0 when o is 1; R 1 and R 2 do not exist when o is 0, while, when p is 0, R 3 does not exist and the binding between the carbon atom to which R 2 binds and Z 2 is a single bond; X 1 − represents an appropriate counter anion and q represents an integer of 1 or 2.