6-chloro-5-{4-[3-(dimethylamino)propoxy]-2,6-difluorophenyl}-N2-methyl-N4-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine trifluoroacetic acid salt | 1245536-75-7

• 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: 6-chloro-5-{4-[3-(dimethylamino)propoxy]-2,6-difluorophenyl}-N2-methyl-N4-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine trifluoroacetic acid salt
• 英文别名: 6-chloro-5-[4-[3-(dimethylamino)propoxy]-2,6-difluorophenyl]-2-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid
• CAS: 1245536-75-7
• 化学式: C₂HF₃O₂*C₁₈H₂₁ClF₅N₅O
• 分子量: 567.867
• InChiKey: OLXAKYXIDWGSGT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.05
• 重原子数：
  37
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  99.6
• 氢给体数：
  3
• 氢受体数：
  16

反应信息

• 作为产物：
  描述：

  4-chloro-6-[(2,2,2-trifluoroethyl)amino]-5-(2,4,6-trifluorophenyl)pyrimidin-2-yl(methyl)cyanamide 在 sodium hydride 作用下， 以 二甲基亚砜 为溶剂， 反应 2.0h， 生成 4-chloro-5-{4-[3-(dimethylamino)propoxy]-2,6-difluorophenyl}-6-[(2,2,2-trifluoroethyl)amino]pyrimidin-2-yl(methyl)cyanamide trifluoroacetic acid salt 、 6-chloro-5-{4-[3-(dimethylamino)propoxy]-2,6-difluorophenyl}-N2-methyl-N4-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine trifluoroacetic acid salt
  参考文献：
  名称：

  5-arylpyrimidines as anticancer agents

  摘要：

  这项发明涉及某些5-芳基嘧啶化合物或其药用盐，以及含有所述化合物或其药用盐的组合物，其中所述化合物是抗癌剂，可用于治疗哺乳动物的癌症。该发明还涉及一种治疗或抑制哺乳动物体内癌细胞和相关疾病生长的方法，并进一步提供了一种治疗或预防表达多药耐药性（MDR）或因MDR耐药的癌症肿瘤的方法，该方法包括向所述哺乳动物体内施用所述化合物或其药用盐的有效量。更具体地，本发明涉及通过促进微管聚合来治疗或抑制哺乳动物体内癌细胞和相关疾病的方法，该方法包括向所述哺乳动物体内施用所述化合物及其药用盐的有效量。

  公开号：

  US20050075357A1

文献信息

• 5-ARYLPYRIMIDINES AS ANTICANCER AGENTS
  申请人：Wyeth Holdings Corporation

  公开号：EP1663241A1

  公开（公告）日：2006-06-07
• US7524849B2
  申请人：——

  公开号：US7524849B2

  公开（公告）日：2009-04-28
• [EN] 5-ARYLPYRIMIDINES AS ANTICANCER AGENTS<br/>[FR] 5-ARYLPYRIMIDINES UTILISEES COMME AGENTS ANTICANCEREUX
  申请人：WYETH CORP

  公开号：WO2005030216A1

  公开（公告）日：2005-04-07

  This invention relates to certain 5-arylpyrimidine compounds or a pharmaceutically acceptable salt thereof, and compositions containing said compounds or a pharmaceutically acceptable salt thereof, wherein said compounds are anti-cancer agents useful for the treatment of cancer in mammals. This invention further relates to a method of treating or inhibiting the growth of cancerous tumor cells and associated diseases in a mammal and further provides a method for the treatment or prevention of cancerous tumors that express multiple drug resistance (MDR) or are resistant because of MDR, in a mammal in need thereof which method comprises administering to said mammal an effective amount of said compounds or a pharmaceutically acceptable salt thereof. More specifically, the present invention relates to a method of treating or inhibiting the growth of cancerous tumor cells and associated diseases in a mammal in need thereof by promotion of microtubule polymerization which comprises administering to said mammal an effective amount of said compounds and pharmaceutically acceptable salts thereof.
• 5-arylpyrimidines as anticancer agents
  申请人：Zhang Nan

  公开号：US20050075357A1

  公开（公告）日：2005-04-07

  This invention relates to certain 5-arylpyrimidine compounds or a pharmaceutically acceptable salt thereof, and compositions containing said compounds or a pharmaceutically acceptable salt thereof, wherein said compounds are anti-cancer agents useful for the treatment of cancer in mammals. This invention further relates to a method of treating or inhibiting the growth of cancerous tumor cells and associated diseases in a mammal and further provides a method for the treatment or prevention of cancerous tumors that express multiple drug resistance (MDR) or are resistant because of MDR, in a mammal in need thereof which method comprises administering to said mammal an effective amount of said compounds or a pharmaceutically acceptable salt thereof. More specifically, the present invention relates to a method of treating or inhibiting the growth of cancerous tumor cells and associated diseases in a mammal in need thereof by promotion of microtubule polymerization which comprises administering to said mammal an effective amount of said compounds and pharmaceutically acceptable salts thereof.

  这项发明涉及某些5-芳基嘧啶化合物或其药用盐，以及含有所述化合物或其药用盐的组合物，其中所述化合物是抗癌剂，可用于治疗哺乳动物的癌症。该发明还涉及一种治疗或抑制哺乳动物体内癌细胞和相关疾病生长的方法，并进一步提供了一种治疗或预防表达多药耐药性（MDR）或因MDR耐药的癌症肿瘤的方法，该方法包括向所述哺乳动物体内施用所述化合物或其药用盐的有效量。更具体地，本发明涉及通过促进微管聚合来治疗或抑制哺乳动物体内癌细胞和相关疾病的方法，该方法包括向所述哺乳动物体内施用所述化合物及其药用盐的有效量。