N-[6-(2,5-dioxo-2,5-dihydro-1 H-pyrrol-1-yl)hexanoyl]-L-valyl-N-{4-[(8S,11S,12R)-11-[(2S)-butan-2-yl]-12-(2-{(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-{[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino}propyl]pyrrolidin-1-yl}-2-oxoethyl)-5,5,10-trimethyl-3,6,9-trioxo-8-(propan-2-yl)-2,13-dioxa-4,7,10-triazatetradec-1-yl]phenyl}-N⁵-carbamoyl-L-ornithinamide | 1438849-92-3

• 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: N-[6-(2,5-dioxo-2,5-dihydro-1 H-pyrrol-1-yl)hexanoyl]-L-valyl-N-{4-[(8S,11S,12R)-11-[(2S)-butan-2-yl]-12-(2-{(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-{[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino}propyl]pyrrolidin-1-yl}-2-oxoethyl)-5,5,10-trimethyl-3,6,9-trioxo-8-(propan-2-yl)-2,13-dioxa-4,7,10-triazatetradec-1-yl]phenyl}-N⁵-carbamoyl-L-ornithinamide
• 英文别名: Pelidotin；[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[1-[[(2S)-1-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate
• CAS: 1438849-92-3
• 化学式: C₆₈H₁₀₀N₁₂O₁₄S
• 分子量: 1341.68
• InChiKey: OUOWRIRIGRPGBR-WUDDPNKVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  95
• 可旋转键数：
  39
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  377
• 氢给体数：
  8
• 氢受体数：
  16

文献信息

• CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF
  申请人：PFIZER INC.

  公开号：US20130129753A1

  公开（公告）日：2013-05-23

  The present invention is directed to cytotoxic pentapeptides, to antibody drug conjugates thereof, and to methods for using the same to treat cancer.

  本发明涉及细胞毒性五肽，其抗体药物偶联物，以及使用它们治疗癌症的方法。
• ANTI-PTK7 ANTIBODY-DRUG CONJUGATES
  申请人：PFIZER INC.

  公开号：US20150315293A1

  公开（公告）日：2015-11-05

  The present invention provides anti-PTK7 antibody-drug conjugates and methods for preparing and using the same.

  本发明提供了抗PTK7抗体药物偶联物及其制备和使用方法。
• EP3137114B1
  申请人：——

  公开号：EP3137114B1

  公开（公告）日：2020-12-23
• PURIFICATION OF ANTIBODY DRUG CONJUGATES USING A SODIUM PHOSPHATE GRADIENT
  申请人：Pfizer Inc.

  公开号：EP3394082B1

  公开（公告）日：2020-08-12
• ANTI-NOTCH3 ANTIBODIES AND ANTIBODY-DRUG CONJUGATES
  申请人：Pfizer Inc.

  公开号：US20170014526A1

  公开（公告）日：2017-01-19

  The present invention provides for anti-Notch3 antibodies, anti-Notch3 antibody-drug conjugates and methods for preparing and using the same.