7-(1-(triphenylmethyl-1H-imidazol-2-ylamino)methyl)-1-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | 208580-27-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: 7-(1-(triphenylmethyl-1H-imidazol-2-ylamino)methyl)-1-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
• 英文别名: 1-methyl-4-oxo-7-(((1-(triphenylmethyl)imidazol-2-yl)amino)methyl)hydroquinoline-3-carboxylic acid；1-Methyl-4-oxo-7-(((1-trityl-1H-imidazol-2-YL)amino)methyl)-1,4-dihydroquinoline-3-carboxylic acid；1-methyl-4-oxo-7-[[(1-tritylimidazol-2-yl)amino]methyl]quinoline-3-carboxylic acid
• CAS: 208580-27-2
• 化学式: C₃₄H₂₈N₄O₃
• 分子量: 540.621
• InChiKey: GLNKBIPOZFGIKA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  41
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  87.5
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Methyl (2S)-3-Amino-2-[({2,6-dimethyl-4-[3-(N-{2-[(phenylmethoxy)carbonylamino]ethyl}carbamoyl)propoxy]-phenyl}sulfonyl)amino]propanoate Trifluoroacetate Salt 、 7-(1-(triphenylmethyl-1H-imidazol-2-ylamino)methyl)-1-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid 在 O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate 、 N,N-二异丙基乙胺 作用下， 以 N-methylpyrrolidinone (NMP) 为溶剂， 反应 17.25h， 以89%的产率得到methyl (2S)-2-[[2,6-dimethyl-4-[4-oxo-4-[2-(phenylmethoxycarbonylamino)ethylamino]butoxy]phenyl]sulfonylamino]-3-[[1-methyl-4-oxo-7-[[(1-tritylimidazol-2-yl)amino]methyl]quinoline-3-carbonyl]amino]propanoate
  参考文献：
  名称：

  WO2008/70291

  摘要：

  公开号：
• 作为产物：
  描述：

  ethyl 7-(1-(triphenylmethyl-1H-imidazol-2-ylamino)methyl)-1-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate 在 lithium hydroxide 、 水 、 盐酸 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 3.0h， 以81.7%的产率得到7-(1-(triphenylmethyl-1H-imidazol-2-ylamino)methyl)-1-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
  参考文献：
  名称：

  WO2008/70291

  摘要：

  公开号：

文献信息

• LINKERS FOR ANCHORING TARGETING LIGANDS
  申请人：McGhee William D.

  公开号：US20080305037A1

  公开（公告）日：2008-12-11

  An improved linker which lacks chiral centers between a hydrophobic anchor for coupling to lipid-based particles and a targeting agent has suitable hydrophobic/hydrophilic properties for use in vivo.

  一种改进的连接剂，其在疏水锚与靶向剂之间缺乏手性中心，适用于体内使用，具有适当的疏水/亲水性质，用于与基于脂质的颗粒耦合。
• Simultaneous imaging of cardiac perfusion and a vitronectin receptor targeted imaging agent
  申请人：——

  公开号：US20030103898A1

  公开（公告）日：2003-06-05

  The present invention describes a method of concurrent imaging in a mammal comprising: a) administering to said mammal a vitronectin receptor targeted imaging agent and a perfusion imaging agent; and b) concurrently detecting the vitronectin receptor targeted imaging agent bound at the vitronectin receptor and the perfusion imaging agent; and c) forming an image from the detection of said vitronectin targeted imaging agent and said perfusion imaging agent.

  本发明描述了一种哺乳动物同时成像的方法，包括：a）向该哺乳动物注射一个靶向vitronectin受体的成像剂和一个灌注成像剂；并b）同时检测vitronectin受体靶向成像剂与vitronectin受体结合以及灌注成像剂；并c）从检测到的vitronectin靶向成像剂和灌注成像剂形成图像。
• Stable radiopharmaceutical compositions and methods for preparation thereof
  申请人：——

  公开号：US20020122768A1

  公开（公告）日：2002-09-05

  The present invention provides stable radiopharmaceutical compositions including a therapeutic radionuclide and an effective stabilizing amount of an aromatic stabilizer (e.g., a polyhydroxylated aromatic compound, an aromatic amine, or a hydroxylated aromatic amine), alone or in combination with other antioxidants or stabilizers, to inhibit radiolytic degradation of radiopharmaceuticals. The present invention also provides improved radiopharmaceutical formulations by the use of an aromatic stabilizing agent (e.g., a polyhydroxylated aromatic compound, an aromatic amines, or a hydroxylated aromatic amine), and/or low temperature storage. The present invention also provides processes for making stable radiopharmaceutical compositions. The present invention also provides the use of the pharmaceutical compositions in medical therapy and/or medical diagnosis.

  本发明提供了稳定的放射性药物组合物，包括治疗性放射性核素和有效稳定剂量的芳香稳定剂（例如，多羟基芳香化合物、芳香胺或羟基芳香胺），单独或与其他抗氧化剂或稳定剂组合使用，以抑制放射性降解。本发明还通过使用芳香稳定剂（例如，多羟基芳香化合物、芳香胺或羟基芳香胺）和/或低温储存来提供改进的放射性药物配方。本发明还提供制备稳定的放射性药物组合物的方法。本发明还提供在医疗治疗和/或医疗诊断中使用药物组合物的用途。
• QUINOLONE VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS
  申请人：——

  公开号：US20020015680A1

  公开（公告）日：2002-02-07

  The present invention describes novel compounds of the formula: (Q) d —L n —C h , useful for the diagnosis and treatment of cancer, methods of imaging tumors in a patient, and methods of treating cancer in a patient. The present invention also provides novel compounds useful for monitoring therapeutic angiogenesis treatment and destruction of new angiogenic vasculature. The pharmaceuticals are comprised of a targeting moiety that binds to a receptor that is upregulated during angiogenesis, an optional linking group, and a therapeutically effective radioisotope or diagnostically effective imageable moiety. The imageable moiety is a gamma ray or positron emitting radioisotope, a magnetic resonance imaging contrast agent, an X-ray contrast agent, or an ultrasound contrast agent.

  本发明描述了式中的新型化合物： (Q) d -L n -C h , 用于诊断和治疗癌症、患者肿瘤成像方法和患者癌症治疗方法。本发明还提供了用于监测治疗性血管生成治疗和新血管生成血管破坏的新型化合物。这些药物由与血管生成过程中上调的受体结合的靶向分子、任选连接基团和治疗有效的放射性同位素或诊断有效的可成像分子组成。可成像分子是伽马射线或正电子发射的放射性同位素、磁共振成像造影剂、X 射线造影剂或超声造影剂。
• Vitronectin receptor antagonist pharmaceuticals
  申请人：——

  公开号：US20020041878A1

  公开（公告）日：2002-04-11

  The present invention describes novel compounds of the formula: (Q) d -L n -C h , useful for the diagnosis and treatment of cancer, methods of imaging tumors in a patient, and methods of treating cancer in a patient. The present invention also provides novel compounds useful for monitoring therapeutic angiogenesis treatment and destruction of new angiogenic vasculature. The present invention further provides novel compounds useful for imaging atherosclerosis, restenosis, cardiac ischemia, and myocardial reperfusion injury. The present invention still further provides novel compounds useful for the treatment of rheumatoid arthritis. The pharmaceuticals are comprised of a targeting moiety that binds to a receptor that is upregulated during angiogenesis, an optional linking group, and a therapeutically effective radioisotope or diagnostically effective imageable moiety. The imageable moiety is a gamma ray or positron emitting radioisotope, a magnetic resonance imaging contrast agent, an X-ray contrast agent, or an ultrasound contrast agent.

  本发明描述了式中的新型化合物： (Q) d -L n -C h , 用于诊断和治疗癌症、患者肿瘤成像方法和患者癌症治疗方法。本发明还提供了用于监测治疗性血管生成治疗和新血管生成血管破坏的新型化合物。本发明进一步提供了用于动脉粥样硬化、再狭窄、心脏缺血和心肌再灌注损伤成像的新型化合物。本发明还进一步提供了用于治疗类风湿性关节炎的新型化合物。这些药物由与血管生成过程中上调的受体结合的靶向分子、任选连接基团和治疗有效的放射性同位素或诊断有效的可成像分子组成。可成像分子是伽马射线或正电子发射的放射性同位素、磁共振成像造影剂、X 射线造影剂或超声造影剂。