(2S)-2-{2-[(2S)-2-[(4-{[bis(pyridin-2-ylmethyl)amino]methyl}phenyl)formamido]-3-phenylpropanamido]acetamido}-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-(1H-indol-3-yl)ethyl]carbamoyl}butyl]-4-methylpentanamide

• 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)-2-{2-[(2S)-2-[(4-{[bis(pyridin-2-ylmethyl)amino]methyl}phenyl)formamido]-3-phenylpropanamido]acetamido}-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-(1H-indol-3-yl)ethyl]carbamoyl}butyl]-4-methylpentanamide
• 英文别名: N-[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-4-[[bis(pyridin-2-ylmethyl)amino]methyl]benzamide
• 化学式: C₅₄H₆₅N₁₃O₆
• 分子量: 992.2
• InChiKey: KSJOSRXEKDJZKJ-GBGBWPTHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  73
• 可旋转键数：
  27
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  298
• 氢给体数：
  9
• 氢受体数：
  10

文献信息

• Metastin derivatives and their use
  申请人：——

  公开号：US20040142875A1

  公开（公告）日：2004-07-22

  The invention relates to metastin derivatives represented by the formula: X-AA 1 -AA 2 -AA 3 -AA 4 -Z (I), or a salt thereof, or a pro-drug thereof, which have cancer metastatis suppressing activity and cancer proliferation suppressing activity. The invention also relates to the use of these derivatives as drugs for preventing or treating cancers.

  本发明涉及由式表示的转移素衍生物：X-AA 1 -AA 2 -AA 3 -AA 4 -Z(I)，或其盐，或其原药，具有抑制癌症转移活性和抑制癌症增殖活性。本发明还涉及将这些衍生物用作预防或治疗癌症的药物。
• METASTIN DERIVATIVES AND THEIR USE
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP1581557B1

  公开（公告）日：2009-09-23
• US6800611B2
  申请人：——

  公开号：US6800611B2

  公开（公告）日：2004-10-05
• [EN] METASTIN DERIVATIVES AND THEIR USE<br/>[FR] DERIVES DE METASTINE ET UTILISATION ASSOCIEE
  申请人：TAKEDA CHEMICAL INDUSTRIES LTD

  公开号：WO2004060264A2

  公开（公告）日：2004-07-22

  The invention relates to metastin derivatives represented by the formula: X-AA1,-AA2-AA3-AA4.-Z (I), or a salt thereof, or a pro-drug thereof, which have cancer metastatis suppressing activity and cancer proliferation suppressing activity. The invention also relates to the use of these derivatives as drugs for preventing or treating cancers.