3-(2,6-dichlorophenyl)-7-({4-[3-(dimethylamino)-3-(hydroxymethyl)pyrrolidin-1-yl]phenyl}amino)-4-imino-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one | 1229977-34-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: 3-(2,6-dichlorophenyl)-7-({4-[3-(dimethylamino)-3-(hydroxymethyl)pyrrolidin-1-yl]phenyl}amino)-4-imino-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
• CAS: 1229977-34-7
• 化学式: C₂₅H₂₆Cl₂N₈O₂
• 分子量: 541.44
• InChiKey: UATNAXMWOKWZED-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.14
• 重原子数：
  37.0
• 可旋转键数：
  6.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  126.16
• 氢给体数：
  4.0
• 氢受体数：
  9.0

文献信息

• DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE
  申请人：Bamba Makoto

  公开号：US20110243891A1

  公开（公告）日：2011-10-06

  The present invention relates to a compound of General Formula (I) below, among others. In the Formula, Ar 1 is an optionally substituted aryl or heteroaryl group; R 1 is a hydrogen atom, an optionally substituted C1-C6 alkyl group, or an optionally substituted aryl, aralkyl, or heteroaryl group; R 2 is an optionally substituted aryl, aralkyl, or heteroaryl group; and R 3 is a hydrogen atom or a C1-C6 alkyl group. A compound of the present invention has an excellent Weel kinase inhibiting effect, and is therefore useful in the filed of medicine, particularly in various types of cancer therapy.

  本发明涉及以下通式（I）的化合物等。在该式中，Ar1是一个可选取的取代芳基或杂环芳基基团；R1是氢原子，可选取的取代C1-C6烷基基团，或可选取的取代芳基、芳基烷基或杂环芳基基团；R2是可选取的取代芳基、芳基烷基或杂环芳基基团；R3是氢原子或C1-C6烷基基团。本发明的化合物具有出色的Weel激酶抑制作用，因此在医学领域，特别是各种癌症治疗中非常有用。
• HEDGEHOG PATHWAY MODULATORS
  申请人：Cheng Dai

  公开号：US20130296333A1

  公开（公告）日：2013-11-07

  The invention provides a method, compounds and compositions for modulating the activity of the hedgehog signaling pathway. In particular, the invention provides a method for inhibiting aberrant growth states resulting from phenotypes such as Ptc loss-of-function, hedgehog gain-of-function, smoothened gain-of-function or Gli gain-of-function, comprising contacting a cell with a sufficient amount of a compound of Formula (I).

  本发明提供了一种调节刺猬信号通路活性的方法、化合物和组合物。具体而言，本发明提供了一种抑制由于Ptc失活、刺猬增强功能、平滑肌增强功能或Gli增强功能等表型引起的异常生长状态的方法，包括将化合物I式的足够量与细胞接触。
• DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVE
  申请人：MSD K.K.

  公开号：EP2376493B1

  公开（公告）日：2016-10-05
• US8507505B2
  申请人：——

  公开号：US8507505B2

  公开（公告）日：2013-08-13
• US8507491B2
  申请人：——

  公开号：US8507491B2

  公开（公告）日：2013-08-13