6-[[6-[(1E,3Z,5E)-1-(3-ethyl-1,1-dimethyl-6-sulfobenzo[e]indol-3-ium-2-yl)-5-(3-ethyl-1,1-dimethyl-6-sulfobenzo[e]indol-2-ylidene)penta-1,3-dien-3-yl]pyridine-3-carbonyl]amino]hexanoic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 6-[[6-[(1E,3Z,5E)-1-(3-ethyl-1,1-dimethyl-6-sulfobenzo[e]indol-3-ium-2-yl)-5-(3-ethyl-1,1-dimethyl-6-sulfobenzo[e]indol-2-ylidene)penta-1,3-dien-3-yl]pyridine-3-carbonyl]amino]hexanoic acid
• 化学式: C49H53N4O9S2+
• 分子量: 906.1
• InChiKey: ORBKDVFFLSPHQC-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  7.6
• 重原子数：
  64
• 可旋转键数：
  15
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  211
• 氢给体数：
  4
• 氢受体数：
  11

文献信息

• INTEGRIN TARGETING AGENTS AND IN-VIVO AND IN-VITRO IMAGING METHODS USING THE SAME
  申请人：Merck & Co., Inc.

  公开号：US20140170066A1

  公开（公告）日：2014-06-19

  The invention provides a family of agents that target integrins, which can be used as imaging agents and/or therapeutic agents. The agents can be used to image angiogenesis, inflammation or other physiological processes in a subject.
• Fluorescent Imaging Agents
  申请人：VisEn Medical, Inc.

  公开号：US20170119908A1

  公开（公告）日：2017-05-04

  Provided is a family of intramolecularly quenched imaging agents for use in both in vivo and in vitro imaging that contain at least one enzymatically cleavable oligopeptide and two fluorophores or a fluorophore and a quencher. When subjected to proteolytic cleavage, at least one fluorophore is unquenched and becomes capable of producing a fluorescent signal upon excitation with light of an appropriate wavelength. Also provided are in vivo and in vitro imaging methods using such imaging agents.
• US9694089B2
  申请人：——

  公开号：US9694089B2

  公开（公告）日：2017-07-04