tert-butyl N-[6-[[(4S,8R,13S,34S)-4-(2-amino-2-oxoethyl)-13-[(2R)-4-aminooxy-3-hydroxybutan-2-yl]-34-butan-2-yl-8-hydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-22-yl]oxy]hexyl]carbamate

• 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: tert-butyl N-[6-[[(4S,8R,13S,34S)-4-(2-amino-2-oxoethyl)-13-[(2R)-4-aminooxy-3-hydroxybutan-2-yl]-34-butan-2-yl-8-hydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-22-yl]oxy]hexyl]carbamate
• 英文别名: tert-butyl N-[6-[[(4S,8R,13S,34S)-4-(2-amino-2-oxoethyl)-13-[(2R)-4-aminooxy-3-hydroxybutan-2-yl]-34-butan-2-yl-8-hydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-27λ4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-22-yl]oxy]hexyl]carbamate
• 化学式: C₅₀H₇₆N₁₂O₁₆S
• 分子量: 1133.3
• InChiKey: TZSXNDCTYPAYFY-QFWSHLPQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.2
• 重原子数：
  79
• 可旋转键数：
  18
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  442
• 氢给体数：
  13
• 氢受体数：
  18

文献信息

• [EN] AMATOXIN DERIVATIVES<br/>[FR] DÉRIVÉS D'AMATOXINE
  申请人：HEIDELBERG PHARMA GMBH

  公开号：WO2014135282A1

  公开（公告）日：2014-09-12

  The invention relates to tumour therapy. In one aspect, the present invention relates to conjugates of an amatoxin and a target-binding moiety, e.g. an antibody, connected by certain linkages, which are useful in the treatment of cancer and other disorders and diseases. In a further aspect the invention relates to pharmaceutical compositions comprising such conjugates.