2-[(1R,3R)-4-methyl-3-[methyl-[(2S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-1-propoxypentyl]-N-[(2R,4S)-4-methyl-5-oxo-1-phenyl-5-[2-(pyridin-2-yldisulfanyl)ethylamino]pentan-2-yl]-1,3-thiazole-4-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: 2-[(1R,3R)-4-methyl-3-[methyl-[(2S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-1-propoxypentyl]-N-[(2R,4S)-4-methyl-5-oxo-1-phenyl-5-[2-(pyridin-2-yldisulfanyl)ethylamino]pentan-2-yl]-1,3-thiazole-4-carboxamide
• 化学式: C₄₆H₆₉N₇O₅S₃
• 分子量: 896.3
• InChiKey: VESTXOQSDDJDQG-PTPYGNNISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.2
• 重原子数：
  61
• 可旋转键数：
  25
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  225
• 氢给体数：
  3
• 氢受体数：
  11

文献信息

• [EN] CYTOTOXIC TUBULYSIN COMPOUNDS FOR CONJUGATION<br/>[FR] COMPOSÉS DE TUBULYSINE CYTOTOXIQUES POUR LA CONJUGAISON
  申请人：TUBE PHARMACEUTICALS GMBH

  公开号：WO2015113760A1

  公开（公告）日：2015-08-06

  The present invention provides one or more compounds of formula (I) for conjugation to small molecules, polymers, peptides, proteins, antibodies, antibody fragments etc.

  本发明提供了一个或多个式(I)的化合物，用于与小分子、聚合物、肽、蛋白质、抗体、抗体片段等结合。
• Cytotoxic tubulysin compounds for conjugation
  申请人：Tube Pharmaceuticals GmbH

  公开号：US10183970B2

  公开（公告）日：2019-01-22

  The present invention provides one or more compounds of formula (I) for conjugation to small molecules, polymers, peptides, proteins, antibodies, antibody fragments etc.

  本发明提供了一种或多种用于与小分子、聚合物、肽、蛋白质、抗体、抗体片段等共轭的式 (I) 化合物。
• RECEPTOR LIGAND LINKED CYTOTOXIC MOLECULES
  申请人：ONTOCHEM GMBH

  公开号：US20150238626A1

  公开（公告）日：2015-08-27

  The present invention refers to neuropeptide Y receptor 1 (NPY-1) binding ligands linked to cytotoxic molecules and their use for the treatment of cancer and other diseases.
• CYTOTOXIC TUBULYSIN COMPOUNDS FOR CONJUGATION
  申请人：TUBE PHARMACEUTICALS GMBH

  公开号：US20160340386A1

  公开（公告）日：2016-11-24

  The present invention provides one or more compounds of formula (I) for conjugation to small molecules, polymers, peptides, proteins, antibodies, antibody fragments etc.
• [EN] RECEPTOR LIGAND LINKED CYTOTOXIC MOLECULES<br/>[FR] LIGAND DE RÉCEPTEUR LIÉ À DES MOLÉCULES CYTOTOXIQUES
  申请人：ONTOCHEM GMBH

  公开号：WO2014040752A1

  公开（公告）日：2014-03-20

  The present invention refers to neuropeptide Y receptor 1 (NPY-1) binding ligands linked to cytotoxic molecules and their use for the treatment of cancer and other diseases.