N-[3-chloro-phenyl]-4-[2-(4-morpholinyl)-pyridin-4-yl]-2-pyrimidineamine

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-[3-chloro-phenyl]-4-[2-(4-morpholinyl)-pyridin-4-yl]-2-pyrimidineamine
• 英文别名: N-(3-chloro-phenyl)-4-[2-(4-morpholinyl)-4-pyridyl]-2-pyrimidine-amine；N-[3-chloro-phenyl]-4-[2-(4-morpholinyl)-4-pyridyl]-2-pyrimidineamine；N-(3-chlorophenyl)-4-(2-morpholin-4-ylpyridin-4-yl)pyrimidin-2-amine
• 化学式: C₁₉H₁₈ClN₅O
• 分子量: 367.838
• InChiKey: DGUMNVQVABBBNL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  63.2
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3-氯苯胺 在 硝酸 、 sodium ethanolate 作用下， 以 乙醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 0.25h， 生成 N-[3-chloro-phenyl]-4-[2-(4-morpholinyl)-pyridin-4-yl]-2-pyrimidineamine
  参考文献：
  名称：

  Identification of pyrimidine derivatives as hSMG-1 inhibitors

  摘要：

  hSMG-1 kinase plays a dual role in a highly conserved RNA surveillance pathway termed nonsense-mediated RNA decay (NMD) and in cellular genotoxic stress response. Since deregulation of cellular responses to stress contributes to tumor growth and resistance to chemotherapy, hSMG-1 is a potential target for cancer treatment. From our screening efforts, we have identified pyrimidine derivatives as hSMG-1 kinase inhibitors. We report structure-based optimization of this pan-kinase scaffold to improve its biochemical profile and overall kinome selectivity, including mTOR and CDK, to generate the first reported selective hSMG-1 tool compound. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.08.107

文献信息

• N-phenyl-4-(4-pyridyl)-2-pyrimidineamine derivatives
  申请人：——

  公开号：US20030236256A1

  公开（公告）日：2003-12-25

  The present invention relates to a method of protecting plants against attack or infestation by phytopathogenic organisms, such as nematodes or especially microorganisms, preferably fungi, bacteria and viruses, or combinations of two or more of these organisms, by applying at least one compound of the formula (I): wherein n is 0 or 1, R 1 is halogen, alkoxy, haloalkyl, haloalkoxy or alkyl, R 2 is hydrogen, halogen, alkyl, haloalkyl, alkoxy or haloalkoxy, each of R 3 , R 4 and R 5 is, independently of the others, hydrogen, lower alkyl or halogen, and R 6 is as defined in claim 1. The invention also relates to new compounds of formula (I), their preparation, use and compositions comprising said compound.

  本发明涉及一种保护植物免受植物病原体，如线虫或特别是微生物，优选为真菌、细菌和病毒，或两种或两种以上这些生物的攻击或感染的方法，通过施用至少一种化合物的公式（I）：其中n为0或1，R1为卤素、烷氧基、卤代烷基、卤代烷氧基或烷基，R2为氢、卤素、烷基、卤代烷基、烷氧基或卤代烷氧基，R3、R4和R5中的每一个独立地为氢、较低烷基或卤素，R6如权利要求1所定义。本发明还涉及公式（I）的新化合物、其制备、使用以及包含所述化合物的组合物。
• PHARMACOLOGICALLY ACTIVE PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF
  申请人：Novartis AG

  公开号：EP0672041B1

  公开（公告）日：2001-11-14
• N-PHENYL-4-(4-PYRIDYL)-2-PYRIMIDINEAMINE DERIVATIVES
  申请人：Syngenta Participations AG

  公开号：EP1292190B1

  公开（公告）日：2005-08-24
• US7109197B2
  申请人：——

  公开号：US7109197B2

  公开（公告）日：2006-09-19
• [EN] PHARMACOLOGICALLY ACTIVE PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF<br/>[FR] DERIVES PYRIDINE PHARMACOLOGIQUEMENT ACTIFS AINSI QUE LEURS PROCEDES DE PREPARATION
  申请人：CIBA-GEIGY AG

  公开号：WO1995009853A1

  公开（公告）日：1995-04-13

  (EN) N-phenyl-2-pyrimidineamine derivatives of formula (I) wherein the substituents are as defined in claim 1 are described. Those compounds can be used, for example, in the treatment of tumour diseases.(FR) L'invention se rapporte à des dérivés de N-phényl-2-pyrimidineamine de formule (I) dans laquelle les substituants sont tels que définis dans la revendication 1. On peut utiliser ces composés, par exemple, dans le traitement des affections tumorales.