(2S)-N-[(2S)-1-[4-[(2S,5R,8S,11R,14S,17R)-8,14-bis[4-[[(2S)-2-[[(2S)-1-[(2S)-2,6-diaminohexyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]butyl]-5,11,17-trimethyl-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]butylamino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(2S)-2,6-diaminohexyl]pyrrolidine-2-carboxamide

• 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: (2S)-N-[(2S)-1-[4-[(2S,5R,8S,11R,14S,17R)-8,14-bis[4-[[(2S)-2-[[(2S)-1-[(2S)-2,6-diaminohexyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]butyl]-5,11,17-trimethyl-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]butylamino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(2S)-2,6-diaminohexyl]pyrrolidine-2-carboxamide
• 化学式: C₇₈H₁₅₀N₃₀O₁₂
• 分子量: 1700.2
• InChiKey: HFCRFDHSTWEBQD-KETPWLCPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -6.3
• 重原子数：
  120
• 可旋转键数：
  54
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  708
• 氢给体数：
  24
• 氢受体数：
  24

文献信息

• UTILISATION DE LIGANDS SYNTHETIQUES MULTIVALENTS DE LA NUCLEOLINE DE SURFACE POUR LE TRAITEMENT DU CANCER OU DE L'INFLAMMATION
  申请人：Centre National de la Recherche Scientifique (CNRS)

  公开号：EP2013232B1

  公开（公告）日：2015-05-20
• COMPOSITIONS COMPRISING MULTIVALENT SYNTHETIC LIGANDS OF SURFACE NUCLEOLIN AND GLYCOSAMINOGLYCANS
  申请人：Zimmer Robert

  公开号：US20140080759A1

  公开（公告）日：2014-03-20

  The present invention relates to a composition comprising a Nucant multivalent synthetic compound and a glycosaminoglycan, the admixture of both compounds forming microspheres comprising both compounds, as well as their use for the treatment or prevention of diseases associated with deregulation of proliferation and/or angiogenesis, such as cancer, inflammatory disease, or for promoting wound healing.
• US9487559B2
  申请人：——

  公开号：US9487559B2

  公开（公告）日：2016-11-08