2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[6-[4-[4-[(E)-N-[3-[[4-[(2S,4R)-2-[[[(3R,5S)-1-[6-[6-[[(4S)-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-1,3-dioxolan-4-yl]methyl-methylamino]hexanoylamino]hexanoyl]-5-(dihydroxyphosphinothioyloxymethyl)pyrrolidin-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxypyrrolidin-1-yl]-4-oxobutyl]disulfanyl]propanoylamino]-C-methylcarbonimidoyl]phenoxy]butanoylamino]hexylamino]-5-oxopentanoic 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-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[6-[4-[4-[(E)-N-[3-[[4-[(2S,4R)-2-[[[(3R,5S)-1-[6-[6-[[(4S)-2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-1,3-dioxolan-4-yl]methyl-methylamino]hexanoylamino]hexanoyl]-5-(dihydroxyphosphinothioyloxymethyl)pyrrolidin-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxypyrrolidin-1-yl]-4-oxobutyl]disulfanyl]propanoylamino]-C-methylcarbonimidoyl]phenoxy]butanoylamino]hexylamino]-5-oxopentanoic acid
• 化学式: C₁₀₇H₁₇₁N₁₅O₂₁P₂S₃
• 分子量: 2161.7
• InChiKey: DRZUTROIWWMSJT-CTWOGMJTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.4
• 重原子数：
  148
• 可旋转键数：
  83
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  580
• 氢给体数：
  13
• 氢受体数：
  29

文献信息

• US20140256785A1
  申请人：——

  公开号：US20140256785A1

  公开（公告）日：2014-09-11
• SITE-SPECIFIC DELIVERY OF NUCLEIC ACIDS BY COMBINING TARGETING LIGANDS WITH ENDOSOMOLYTIC COMPONENTS
  申请人：Tekmira Pharmaceuticals Corporation

  公开号：US20160367687A1

  公开（公告）日：2016-12-22

  The invention relates to compositions and methods for site-specific delivery of nucleic acids by combining them with targeting ligands and endosomolytic components.
• US9345780B2
  申请人：——

  公开号：US9345780B2

  公开（公告）日：2016-05-24