N-[2-Bromo-4-(1-methylethyl)phenyl]-N-ethyl-4-(2-aminophenyl)-6-methyl-2-pyrimidineamine | 219840-53-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: N-[2-Bromo-4-(1-methylethyl)phenyl]-N-ethyl-4-(2-aminophenyl)-6-methyl-2-pyrimidineamine
• 英文别名: 4-(2-aminophenyl)-N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-6-methylpyrimidin-2-amine
• CAS: 219840-53-6
• 化学式: C₂₂H₂₅BrN₄
• 分子量: 425.371
• InChiKey: KFPLAKSBVJELBO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  55
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-[2-Bromo-4-(1-methylethyl)phenyl]-N-ethyl-4-(2-aminophenyl)-6-methyl-2-pyrimidineamine 在 碳酸氢钠 、 硫酸二甲酯 作用下， 以 正己烷 、 二氯甲烷 、 水 、 乙酸乙酯 、 乙腈 为溶剂， 生成 N-[2-Bromo-4-(1-methylethyl)phenyl]-N-ethyl-4-(2-dimethylaminophenyl)-6-methyl-2-pyrimidineamine 、 N-[2-Bromo-4-(1-methylethyl)phenyl]-N-ethyl-4-(2-methylaminophenyl)-6-methyl-2-pyrimidineamine
  参考文献：
  名称：

  Aryl- and arylamino- substituted heterocycles as corticotropin releasing

  摘要：

  促肾上腺皮质激素释放因子（CRF）拮抗剂的化学式I：##STR1##及其在治疗精神障碍和神经疾病、焦虑相关障碍、创伤后应激障碍、上核性麻痹和进食障碍以及治疗与精神病理障碍和压力相关的结肠过敏性疾病以及哺乳动物免疫、心血管或心脏相关疾病的用途。

  公开号：

  US06103737A1
• 作为产物：
  描述：

  (E)-3-(dimethylamino)-1-(2-nitrophenyl)but-2-en-1-one 在 铁粉 、 sodium hydride 、 溶剂黄146 作用下， 以 甲醇 、 乙二醇甲醚 、 二甲基亚砜 为溶剂， 生成 N-[2-Bromo-4-(1-methylethyl)phenyl]-N-ethyl-4-(2-aminophenyl)-6-methyl-2-pyrimidineamine
  参考文献：
  名称：

  4-Aryl-2-anilinopyrimidines as corticotropin-releasing hormone (CRH) antagonists

  摘要：

  A series of 4-aryl-2-(N-ethylanilino)pyrimidines has been synthesized as corticotropin-releasing hormone (CRH) inhibitors. The effect of substitution on each aromatic ring on receptor binding was investigated. (C) 1999 DuPont Pharmaceuticals. Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00132-8

文献信息

• ARYL-AND ARYLAMINO-SUBSTITUTED HETEROCYCLES AS CORTICOTROPIN RELEASING HORMONE ANTAGONISTS
  申请人：Du Pont Pharmaceuticals Company

  公开号：EP0994860A1

  公开（公告）日：2000-04-26
• US6103737A
  申请人：——

  公开号：US6103737A

  公开（公告）日：2000-08-15
• [EN] ARYL-AND ARYLAMINO-SUBSTITUTED HETEROCYCLES AS CORTICOTROPIN RELEASING HORMONE ANTAGONISTS<br/>[FR] HETEROCYCLES ARYL- ET ARYLAMINO-SUBSTITUES UTILISES COMME ANTAGONISTES DE L'HORMONE CORTICOTROPE
  申请人：DU PONT PHARMACEUTICALS COMPANY

  公开号：WO1999001439A1

  公开（公告）日：1999-01-14

  (EN) Corticotropin releasing factor (CRF) antagonists of formula (I), and their use in treating psychiatric disorders and neurological diseases, anxiety-related disorders, post-traumatic stress disorder, supranuclear palsy and feeding disorders as well as treatment of immunological, cardiovascular or heart-related diseases and colonic hypersensitivity associated with psychopathological disturbance and stress in mammals.(FR) L'invention concerne des antagonistes du facteur libérateur de corticotropine représentés par la formule (I), et leur utilisation pour traiter les troubles psychiatriques, les affections neurologiques, les troubles liés à l'anxiété, les états de stress post-traumatiques, la paralysie supranucléaire et les troubles de l'alimentation, ainsi que le traitement des maladies immunitaires, cardio-vasculaires ou des maladies liées au coeur, et de l'hypersensibilité du côlon associée à des perturbations psychopathologiques et au stress chez les mammifères.
• 4-Aryl-2-anilinopyrimidines as corticotropin-releasing hormone (CRH) antagonists
  作者：Anthony J. Cocuzza、Frank W. Hobbs、Charles R. Arnold、Dennis R. Chidester、Jerry A. Yarem、Steven Culp、Lawrence Fitzgerald、Paul J. Gilligan

  DOI：10.1016/s0960-894x(99)00132-8

  日期：1999.4

  A series of 4-aryl-2-(N-ethylanilino)pyrimidines has been synthesized as corticotropin-releasing hormone (CRH) inhibitors. The effect of substitution on each aromatic ring on receptor binding was investigated. (C) 1999 DuPont Pharmaceuticals. Published by Elsevier Science Ltd. All rights reserved.
• Aryl- and arylamino- substituted heterocycles as corticotropin releasing
  申请人：DuPont Pharmaceuticals Company

  公开号：US06103737A1

  公开（公告）日：2000-08-15

  Corticotropin releasing factor (CRF) antagonists of formula I: ##STR1## and their use in treating psychiatric disorders and neurological diseases, anxiety-related disorders, post-traumatic stress disorder, supranuclear palsy and feeding disorders as well as treatment of immunological, cardiovascular or heart-related diseases and colonic hypersensitivity associated with psychopathological disturbance and stress in mammals.

  促肾上腺皮质激素释放因子（CRF）拮抗剂的化学式I：##STR1##及其在治疗精神障碍和神经疾病、焦虑相关障碍、创伤后应激障碍、上核性麻痹和进食障碍以及治疗与精神病理障碍和压力相关的结肠过敏性疾病以及哺乳动物免疫、心血管或心脏相关疾病的用途。