2-[(2S,5R,8S,11S)-5-benzyl-11-[3-(diaminomethylideneamino)propyl]-8-[4-[6-[2-[5-(3-ethyl-1,1-dimethyl-6,8-disulfobenzo[e]indol-2-ylidene)penta-1,3-dienyl]-1,1-dimethyl-6,8-disulfobenzo[e]indol-3-ium-3-yl]hexanoylamino]butyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-[(2S,5R,8S,11S)-5-benzyl-11-[3-(diaminomethylideneamino)propyl]-8-[4-[6-[2-[5-(3-ethyl-1,1-dimethyl-6,8-disulfobenzo[e]indol-2-ylidene)penta-1,3-dienyl]-1,1-dimethyl-6,8-disulfobenzo[e]indol-3-ium-3-yl]hexanoylamino]butyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid
• 化学式: C68H84N11O20S4+
• 分子量: 1503.7
• InChiKey: SBHYSWZVZLFIOB-LUUKIMGSSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  103
• 可旋转键数：
  27
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  534
• 氢给体数：
  13
• 氢受体数：
  22

文献信息

• Optical Imaging Contrast Agents
  申请人：Klaveness Jo

  公开号：US20080019907A1

  公开（公告）日：2008-01-24

  The invention provides contrast agents for optical imaging of vulnerable atherosclerotic plaque in patients. The contrast agents may be used in diagnosis of vulnerable atherosclerotic plaque, for follow up of progress in disease development, for follow up of treatment of vulnerable atherosclerotic plaque and for surgical guidance. Further, the invention provides methods for optical imaging of vulnerable atherosclerotic plaque in patients.

  本发明提供了用于患者脆弱性动脉粥样硬化斑块的光学成像对比剂。这些对比剂可用于诊断脆弱性动脉粥样硬化斑块，用于随访疾病发展进展，用于随访脆弱性动脉粥样硬化斑块的治疗以及用于手术指导。此外，本发明还提供了用于患者脆弱性动脉粥样硬化斑块的光学成像方法。
• Optical Imaging Contrast Agents For Imaging Lung Cancer
  申请人：Klaveness Jo

  公开号：US20070212305A1

  公开（公告）日：2007-09-13

  The invention provides contrast agents for optical imaging of lung cancer in patients. The contrast agents may be used in diagnosis of lung cancer, for follow up of progress in disease development, for follow up of treatment of lung cancer and for surgical guidance. Further, the invention provides methods for optical imaging of lung cancer in patients.

  这项发明提供了用于患者肺癌光学成像的对比剂。这些对比剂可用于肺癌的诊断，用于随访疾病进展，用于随访肺癌治疗以及用于手术指导。此外，该发明还提供了用于患者肺癌光学成像的方法。
• Optical Imaging Contrast Agents for Imaging Lung Cancer
  申请人：Klaveness Jo

  公开号：US20080044350A1

  公开（公告）日：2008-02-21

  The invention provides contrast agents for optical imaging of prostate cancer in patients. The contrast agents may be used in diagnosis of prostate cancer, for follow up of progress in disease development, for follow up of treatment of prostate cancer and for surgical guidance. Further, the invention provides methods for optical imaging of prostate cancer in patients.

  该发明提供了用于患者前列腺癌的光学成像对比剂。这些对比剂可用于前列腺癌的诊断、疾病发展进展的跟踪、前列腺癌治疗的跟踪以及手术指导。此外，该发明还提供了用于患者前列腺癌的光学成像方法。
• Optical Imaging
  申请人：Cuthbertson Alan

  公开号：US20090232741A1

  公开（公告）日：2009-09-17

  This invention relates to a method for imaging of wet age-related macular degeneration (AMD) using a contrast agent comprising a vector attached to an optical imaging reporter, wherein the vector has affinity for receptors associated with angiogenesis. The invention further provides such methods for monitoring the effect of treatment of AMD.

  本发明涉及一种使用包含附着于光学成像报告物的向量的对比剂的方法，其中该向量具有与血管生成相关的受体亲和力，用于成像湿性年龄相关性黄斑变性（AMD）。本发明还提供了这种方法，用于监测AMD的治疗效果。