(2R)-2-amino-3-[1-[6-[[(2S)-1-[[(2S)-1-[[(3S,4S,5R)-1-[(2S)-2-[(1R,2R)-3-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methoxy-3-methyl-7-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylamino]hexyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 肽模拟物
• 英文名称: (2R)-2-amino-3-[1-[6-[[(2S)-1-[[(2S)-1-[[(3S,4S,5R)-1-[(2S)-2-[(1R,2R)-3-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methoxy-3-methyl-7-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylamino]hexyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoic acid
• 化学式: C₅₄H₈₇N₉O₁₁S
• 分子量: 1070.4
• InChiKey: KNXWZRDLWPPVRN-VOGQSWCUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  75
• 可旋转键数：
  34
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  305
• 氢给体数：
  6
• 氢受体数：
  15

文献信息

• Novel Binder-Drug Conjugates (ADCs) and Use of Same
  申请人：Lerchen Hans-Georg

  公开号：US20140127240A1

  公开（公告）日：2014-05-08

  The present patent application relates to novel binder-drug conjugates (ADCs) of N,N-dialkylauristatins directed against the target epidermal growth factor receptor (EGFR, gene ID 1956), effective metabolites of these ADCs, methods for producing these ADCs, use of these ADCs for treatment and or prevention of diseases as well as the use of these ADCs to produce pharmaceutical drugs for treatment and/or prevention of diseases, in particular hyperproliferative and/or angiogenic diseases such as cancer, for example. Such treatments may be administered as monotherapy or in combination with other pharmaceutical drugs or other therapeutic measures.

  本专利申请涉及针对表皮生长因子受体（EGFR，基因ID 1956）的新型结合物-药物共轭物（ADCs）N，N-二烷基月桂酰基蛋白酶抑制剂，这些ADCs的有效代谢物，生产这些ADCs的方法，利用这些ADCs治疗和/或预防疾病以及利用这些ADCs生产用于治疗和/或预防疾病的药物，特别是治疗高增殖和/或血管生成性疾病，如癌症。这种治疗可以作为单药疗法或与其他药物或其他治疗措施联合使用。