cyclopentyl 4-{4-[(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxybenzoyl)amino]piperidin-1-yl}isovalinate | 1192344-46-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 蝶啶及其衍生物
• 英文名称: cyclopentyl 4-{4-[(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxybenzoyl)amino]piperidin-1-yl}isovalinate
• 英文别名: cyclopentyl 2-amino-4-[4-[[4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxybenzoyl]amino]piperidin-1-yl]-2-methylbutanoate
• CAS: 1192344-46-9
• 化学式: C₃₇H₅₄N₈O₅
• 分子量: 690.886
• InChiKey: CNWFHAVLNPYMGU-ZBJGQNTJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  50
• 可旋转键数：
  13
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  155
• 氢给体数：
  3
• 氢受体数：
  11

文献信息

• Inhibitors of PLK
  申请人：Moffat David Festus Charles

  公开号：US20110190306A1

  公开（公告）日：2011-08-04

  Compounds of formula (I) are PLK inhibitors, useful for the treatment of cell proliferative diseases: wherein R 1 is hydrogen, or an optionally substituted (C 1 -C 6 )alkyl, (C 2 -C 6 )alkenyl, (C 2 -C 6 )alkynyl or (C 3 -C 6 )cycloalkyl group; R 2 is hydrogen, or an optionally substituted (C 1 -C 6 )alkyl, (C 2 -C 6 )alkenyl, (C 2 -C 6 )alkynyl or (C 3 -C 6 )cycloalkyl group; R 3 is hydrogen, —CN, hydroxyl, halogen, optionally substituted (C 1 C 6 )alkyl, (C 2 -C 6 )alkenyl, (C 2 -C 6 )alkynyl or (C 3 -C 6 )cycloalkyl, —NR 5 R 6 or C 1 -C 4 alkoxy, wherein R 5 and R 6 are independently hydrogen or optionally substituted (C 1 -C 6 )alkyl; ring A is an optionally substituted mono- or bi-cyclic carbocyclic or heterocyclic ring or a ring system having up to 12 ring atoms; T is a radical of formula R-L 1 -Y 1 — wherein L 1 and Y 1 are as defined in the claims and R is an carbon-linked, alpha alpha disubstituted amino acid or amino acid ester residue.