1-Cyclopentyl-7-{4-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]phenylamino}pyrimido[4,5-d]pyrimidin-2(1H)-one | 251369-85-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 1-Cyclopentyl-7-{4-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]phenylamino}pyrimido[4,5-d]pyrimidin-2(1H)-one
• 英文别名: 1-Cyclopentyl-7-[4-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]anilino]pyrimido[4,5-d]pyrimidin-2-one
• CAS: 251369-85-4
• 化学式: C₂₉H₃₉N₇O₂
• 分子量: 517.674
• InChiKey: MAFLMDDLVBFCJM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  38
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  86.2
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• Bicyclic pyrimidines and bicyclic 3,4-dihydropyrimidines as inhibitors of cellular proliferation
  申请人：——

  公开号：US20040044012A1

  公开（公告）日：2004-03-04

  This invention provides bicyclic heterocycles that are useful for treating cell proliferative disorders, such as cancer and restenosis, as well as angiogenesis and atherosclerosis. We have now discovered a group of bicyclic compounds that are potent inhibitors of cyclin-dependent kinases (cdks), growth factor-mediated kinases, and non-receptor kinases. The compounds are readily synthesized and can be administered by a variety of routes, including orally, and have sufficient bioavailability for clinical use. This invention provides compounds of Formula I: 1 where Z is N or CH; G is N or CH; W is NH, S, SO, or SO 2 , R 1 includes phenyl and substituted phenyl, R 2 includes alkyl and cycloalkyl, R 3 includes alkyl and hydrogen, R 8 and R 9 include hydrogen and alkyl, and the pharmaceutically acceptable salts thereof. This invention also provides pharmaceutical formulations comprising a compound of Formula I together with a pharmaceutically acceptable carrier, diluent, or excipient therefor.

  本发明提供了一种双环杂环化合物，用于治疗细胞增殖紊乱，如癌症和再狭窄，以及血管生成和动脉粥样硬化。我们已经发现了一组双环化合物，它们是周期蛋白依赖性激酶（cdks）、生长因子介导的激酶和非受体激酶的强效抑制剂。这些化合物易于合成，可以通过包括口服在内的多种途径给药，并且具有足够的生物利用度，适用于临床使用。本发明提供的化合物如公式I所示： 1 其中 Z是N或CH； G是N或CH； W是NH、S、SO或SO2； R1包括苯基和取代苯基， R2包括烷基和环烷基， R3包括烷基和氢， R8和R9包括氢和烷基，以及药用可接受的盐。 本发明还提供了包含公式I化合物的药物制剂，以及药用可接受的载体、稀释剂或辅料。
• BICYCLIC PYRIMIDINES AND BICYCLIC 3,4-DIHYDROPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION
  申请人：Warner-Lambert Company LLC

  公开号：EP1080092B1

  公开（公告）日：2008-07-23
• US7501425B1
  申请人：——

  公开号：US7501425B1

  公开（公告）日：2009-03-10