2-[7-[1-[[2-[[3-[4-[3-[4-[2,3-Bis[[2-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoylamino]acetyl]amino]propanoylamino]butyl]-5-ethynylphenyl]butylamino]-3-oxo-2-[[2-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoylamino]acetyl]amino]propyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-4,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-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-[7-[1-[[2-[[3-[4-[3-[4-[2,3-Bis[[2-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoylamino]acetyl]amino]propanoylamino]butyl]-5-ethynylphenyl]butylamino]-3-oxo-2-[[2-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoylamino]acetyl]amino]propyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-4,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
• 英文别名: 2-[7-[1-[[2-[[3-[4-[3-[4-[2,3-bis[[2-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoylamino]acetyl]amino]propanoylamino]butyl]-5-ethynylphenyl]butylamino]-3-oxo-2-[[2-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoylamino]acetyl]amino]propyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-4,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
• 化学式: C₉₈H₁₆₀N₂₆O₃₄
• 分子量: 2246.5
• InChiKey: HDUQGQQSYFSIGH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -33.3
• 重原子数：
  158
• 可旋转键数：
  59
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  790
• 氢给体数：
  22
• 氢受体数：
  50

文献信息

• [EN] METAL CHELATE COMPOUNDS FOR BINDING TO THE PLATELET SPECIFIC GLYCOPROTEIN IIB/IIIA<br/>[FR] CHÉLATES MÉTALLIQUES POUR LA LIAISON À LA GLYCOPROTÉINE IIB/IIIA SPÉCIFIQUE DES PLAQUETTES
  申请人：BAYER PHARMA AG

  公开号：WO2014124943A1

  公开（公告）日：2014-08-21

  The present invention is directed to compounds that bind to glycoprotein IIb/IIIa and can be used for diagnostic imaging, in particular magnetic resonance imaging of thrombi. The disclosed compounds enable the binding to glycoprotein IIb/IIIa receptor combined with an adequate relaxivity.

  本发明涉及结合到糖蛋白IIb/IIIa的化合物，可用于诊断成像，特别是磁共振成像血栓。所公开的化合物使得结合到糖蛋白IIb/IIIa受体并具有适当的弛豫率成为可能。
• METAL CHELATE COMPOUNDS FOR BINDING TO THE PLATELET SPECIFIC GLYCOPROTEIN IIB/IIIA
  申请人：BAYER PHARMA AKTIENGESELLSCHAFT

  公开号：US20160008490A1

  公开（公告）日：2016-01-14

  The present invention is directed to compounds that bind to glycoprotein IIb/IIIa and can be used for diagnostic imaging, in particular magnetic resonance imaging of thrombi. The disclosed compounds enable the binding to glycoprotein IIb/IIIa receptor combined with an adequate relaxivity.

  本发明涉及一种与糖蛋白IIb/IIIa结合的化合物，可用于诊断成像，特别是血栓的磁共振成像。所披露的化合物使得与糖蛋白IIb/IIIa受体的结合与适当的松弛度相结合。