5-chloro-6-{2,6-difluoro-4-[3-(methylamino)propoxy]phenyl}-N-[(1S)-2,2,2-trifluoro-1-methylethyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine succinic acid salt | 852954-80-4

• 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: 5-chloro-6-{2,6-difluoro-4-[3-(methylamino)propoxy]phenyl}-N-[(1S)-2,2,2-trifluoro-1-methylethyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine succinic acid salt
• 英文别名: 5-chloro-6-{2,6-difluoro-4-[3-(methylamino)propoxy]phenyl}-N-[(1S)-2,2,2-trifluoro-1-methylethyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine succinate salt；Cevipabulin succinate anhydrous；butanedioic acid;5-chloro-6-[2,6-difluoro-4-[3-(methylamino)propoxy]phenyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
• CAS: 852954-80-4
• 化学式: C₄H₆O₄*C₁₈H₁₈ClF₅N₆O
• 分子量: 582.915
• InChiKey: OVAKAPOZRCLUHN-FVGYRXGTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.01
• 重原子数：
  39
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  151
• 氢给体数：
  4
• 氢受体数：
  15

反应信息

• 作为产物：
  描述：

  5-chloro-6-{2,6-difluoro-4-[3-(methylamino)propoxy]phenyl}-N-[(1S)-2,2,2-trifluoro-1-methylethyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine hydrogen chloride 、 丁二酸 在 sodium hydroxide 作用下， 以 水 为溶剂， 以73%的产率得到5-chloro-6-{2,6-difluoro-4-[3-(methylamino)propoxy]phenyl}-N-[(1S)-2,2,2-trifluoro-1-methylethyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine succinic acid salt
  参考文献：
  名称：

  [EN] 6-[(SUBSTITUTED)PHENYL]TRIAZOLOPYRIMIDINES AS ANTICANCER AGENTS
  [FR] 6-[(SUBSTITUTEES)PHENYL]TRIAZOLOPYRIMIDINES UTILISEES EN TANT QU'AGENT ANTICANCEREUX

  摘要：

  本发明涉及某些6-[(取代)苯基]三唑吡咯嗪化合物或其药用盐，以及含有所述化合物或其药用盐的组合物，其中所述化合物是对哺乳动物中的癌症具有治疗作用的抗癌剂。本发明还涉及一种治疗或抑制哺乳动物中癌症肿瘤细胞及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而具有耐药性的癌症肿瘤的方法，该方法包括向该哺乳动物施用所述化合物或其药用盐的有效量。本发明涉及一种通过促进微管聚合来治疗或抑制哺乳动物中癌症肿瘤细胞及相关疾病生长的方法，该方法包括向该哺乳动物施用所述化合物及其药用盐的有效量。

  公开号：

  WO2005030775A1

文献信息

• Process for the preparation of tubulin inhibitors
  申请人：Wu Yanzhong

  公开号：US20050124635A1

  公开（公告）日：2005-06-09

  The present invention provides a process for the preparation of 6-[(substituted)phenyl]-triazolopyrimidine dicarboxylic acid salt and as a hydrated salt having the structural formula (I) wherein: R 1 is CF 3 or C 2 F 5 ; R 2 is H or C 1 -C 3 alkyl; n is an integer of 2, 3, or 4; X is Cl or Br; R 3 and R 4 are each independently H or C 1 -C 3 alkyl; or R 3 and R 4 when optionally taken together with the nitrogen atom to which each is attached form a 4 to 6 membered saturated heterocyclic ring having 1-2 nitrogen atoms and 0-1 oxygen atoms or 0-1 sulfur atoms, and optionally substituted with R 5 ; R 5 is C 1 -C 3 alkyl; wherein the dotted line is an optional bond.

  本发明提供了一种制备6-[(取代)苯基]-三唑吡咯嗪二羧酸盐和作为水合盐的过程，其具有结构式(I)，其中：R1为CF3或C2F5；R2为H或C1-C3烷基；n为2、3或4的整数；X为Cl或Br；R3和R4分别独立地为H或C1-C3烷基；或者当R3和R4与各自连接的氮原子一起形成1-2个氮原子和0-1个氧原子或0-1个硫原子的4至6个成员饱和杂环环，并可选地取代R5；R5为C1-C3烷基；其中虚线表示可选键。
• 6-[(Substituted)phenyl]triazolopyrimidines as anticancer agents
  申请人：Zhang Nan

  公开号：US20050090508A1

  公开（公告）日：2005-04-28

  This invention relates to certain 6-[(substituted)phenyl]triazolopyrimidine compounds or pharmaceutically acceptable salts thereof, and compositions containing said compounds or pharmaceutically acceptable salts 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 pharmaceutically acceptable salts thereof. 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.

  本发明涉及某些6-[(取代)苯基]三唑嘧啶化合物或其药学上可接受的盐，以及含有该化合物或其药学上可接受的盐的组合物，其中该化合物是对哺乳动物癌症治疗有用的抗癌剂。本发明还涉及一种用于治疗或抑制哺乳动物中癌细胞肿瘤的生长和相关疾病的方法，并进一步提供了一种用于治疗或预防因多药耐药（MDR）而表达多重药物抗性的癌性肿瘤的方法，该方法包括向所述哺乳动物中需要的部位注射所述化合物或其药学上可接受的盐的有效量。本发明还涉及一种通过促进微管聚合来治疗或抑制哺乳动物中癌细胞肿瘤的生长和相关疾病的方法，该方法包括向所述哺乳动物中注射所述化合物及其药学上可接受的盐的有效量。
• Crystalline forms of 5-Chloro-6-{2,6-difluoro-4-[3-(methylamino)propoxy]phenyl}-N-[(1S)-2,2,2-trifluoro-1-methylethyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine salts
  申请人：Qi Fang Fang

  公开号：US20070060597A1

  公开（公告）日：2007-03-15

  The present invention relates to crystalline forms of 5-chloro-6-2,6-difluoro-4-[3-(methylamino)propoxy]phenyl}-N-[(1S)-2,2,2-trifluoro-1-methylethyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine salts; processes for the production thereof; pharmaceutical compositions thereof; and methods for inhibiting tumor growth therewith.

  本发明涉及5-氯-6-2,6-二氟-4-[3-(甲基氨基)丙氧基]苯基}-N-[(1S)-2,2,2-三氟甲基乙基][1,2,4]三唑[1,5-a]嘧啶-7-胺盐的晶体形态；其生产过程；药物组成物；以及用于抑制肿瘤生长的方法。
• 6-[(substituted)phenyl]triazolopyrimidines as anticancer agents
  申请人：Wyeth

  公开号：US07507739B2

  公开（公告）日：2009-03-24

  This invention relates to certain 6-[(substituted)phenyl]triazolopyrimidine compounds or pharmaceutically acceptable salts thereof, and compositions containing said compounds or pharmaceutically acceptable salts 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 pharmaceutically acceptable salts thereof. 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.

  本发明涉及某些6-[(取代)苯基]三唑嘧啶化合物或其药学上可接受的盐，以及含有该化合物或其药学上可接受的盐的组合物，其中该化合物是用于治疗哺乳动物癌症的抗癌剂。本发明还涉及一种治疗或抑制哺乳动物癌性肿瘤细胞和相关疾病的方法，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而产生耐药性的癌性肿瘤的方法，其中该方法包括向该哺乳动物施用所述化合物或其药学上可接受的盐的有效量。本发明涉及一种通过促进微管聚合来治疗或抑制哺乳动物癌性肿瘤细胞和相关疾病的方法，该方法包括向该哺乳动物施用所述化合物及其药学上可接受的盐的有效量。
• Crystalline forms of 5-chloro-6-{2,6-difluoro-4-[3-(methylamino)propoxy]phenyl}-N-[(1S)-2,2,2-trifluoro-1-methylethyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine salts
  申请人：Wyeth Holdings Corporation

  公开号：US07419982B2

  公开（公告）日：2008-09-02

  The present invention relates to crystalline forms of 5-chloro-6-2,6-difluoro-4-[3-(methylamino)propoxy]phenyl}-N-[(1S)-2,2,2-trifluoro-1-methylethyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine salts; processes for the production thereof; pharmaceutical compositions thereof; and methods for inhibiting tumor growth therewith.

  本发明涉及5-氯-6-2,6-二氟-4-[3-(甲基氨基)丙氧基]苯基}-N-[(1S)-2,2,2-三氟-1-甲基乙基][1,2,4]三唑[1,5-a]嘧啶-7-胺盐的晶体形式；其生产过程；其制药组合物；以及使用其抑制肿瘤生长的方法。