4-anilino-5-bromo-2-{4-[2-hydroxy-2-methyl-3-(isopropylamino)propoxy]anilino}pyrimidine | 280581-36-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-anilino-5-bromo-2-{4-[2-hydroxy-2-methyl-3-(isopropylamino)propoxy]anilino}pyrimidine
• 英文别名: 1-[4-[(4-anilino-5-bromopyrimidin-2-yl)amino]phenoxy]-2-methyl-3-(propan-2-ylamino)propan-2-ol
• CAS: 280581-36-4
• 化学式: C₂₃H₂₈BrN₅O₂
• 分子量: 486.412
• InChiKey: PTICMNVLTWPRGJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  31
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  91.3
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4-[2-hydroxy-2-methyl-3-(isopropyl amino)propoxy]aniline 、 5-溴-2-氯硝基苯 生成 4-anilino-5-bromo-2-{4-[2-hydroxy-2-methyl-3-(isopropylamino)propoxy]anilino}pyrimidine
  参考文献：
  名称：

  2,4-diamino pyrimidine compounds having anti-cell proliferative activity

  摘要：

  化合物(I)是嘧啶衍生物，其中：R1是定义内的可选取代基；Rx选自卤素，羟基，硝基，氨基，氰基，巯基，羧基，磺酰胺基，甲酰胺基，脲基或氨基甲酰基，或者是公式(Ib)的基团：A—B—C—，定义如下；Q1和Q2独立地选自芳基，5-或6-成员的单环基团；以及9-或10-成员的双环杂环基团；Q1和Q2中的一个或两个在任何可用的碳原子上承载公式(Ia)的取代基，定义如下；Q1和Q2也可以进一步取代；或其药学上可接受的盐或体内可水解酯；适用于抗癌剂；并描述了它们的制造过程和含有它们的制药组合物。

  公开号：

  US06593326B1

文献信息

• PYRIMIDINE COMPOUNDS
  申请人：AstraZeneca AB

  公开号：EP1140860A1

  公开（公告）日：2001-10-10
• Compositions and methods for treating neurological disorders and diseases
  申请人：Myriad Genetics, Incorporated

  公开号：US20040226056A1

  公开（公告）日：2004-11-11

  The present invention generally relates to methods and compositions for treating neurological disorders and diseases. In addition, methods for selecting therapeutic agents useful for treating neurological disorders and diseases are provided.
• COMPOSITIONS AND METHODS FOR TREATING NEUROLOGICAL DISORDERS AND DISEASES
  申请人：Roch Jean-Marc

  公开号：US20070225209A1

  公开（公告）日：2007-09-27

  The present invention generally relates to methods and compositions for treating neurological disorders and diseases. In addition, methods for selecting therapeutic agents useful for treating neurological disorders and diseases are provided.
• US6593326B1
  申请人：——

  公开号：US6593326B1

  公开（公告）日：2003-07-15
• [EN] PYRIMIDINE COMPOUNDS<br/>[FR] COMPOSES DE PYRIMIDINE
  申请人：ASTRAZENECA UK LTD

  公开号：WO2000039101A1

  公开（公告）日：2000-07-06

  A pyrimidine derivative of formula (I): wherein: R1 is an optional substituent as defined within; Rx is selected from halo, hydroxy, nitro, amino, cyano, mercapto, carboxy, sulphamoyl, formamido, ureido or carbamoyl or a group of formula (Ib): A-B-C- as defined within; Q1 and Q2 are independently selected from aryl, a 5- or 6-membered monocyclic moiety; and a 9- or 10-membered bicyclic heterocyclic moiety; and one or both of Q1 and Q2 bears on any available carbon atom one substituent of formula (Ia) as defined within; and Q1 and Q2 are optionally further substituted; or a pharmaceutically acceptable salt or in vivo hydrolysable ester thereof; are useful as anti-cancer agents; and processes for their manufacture and pharmaceutical compositions containing them are described.