11-(2-pyrrolidin-1-yl-ethoxy)-14,19-dioxa-5,7,26-triaza-tetracyclo[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2(26),3,5,8,10,12(27),16,21,23-decaene citrate salt | 1228923-42-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 11-(2-pyrrolidin-1-yl-ethoxy)-14,19-dioxa-5,7,26-triaza-tetracyclo[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2(26),3,5,8,10,12(27),16,21,23-decaene citrate salt
• 英文别名: Pacritinib Citrate；2-hydroxypropane-1,2,3-tricarboxylic acid;(16E)-11-(2-pyrrolidin-1-ylethoxy)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene
• CAS: 1228923-42-9
• 化学式: C₆H₈O₇*C₂₈H₃₂N₄O₃
• 分子量: 664.712
• InChiKey: BAHHBHSHSRTKNK-BJILWQEISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.72
• 重原子数：
  48
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  201
• 氢给体数：
  5
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  帕克替尼 、 柠檬酸 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 11-(2-pyrrolidin-1-yl-ethoxy)-14,19-dioxa-5,7,26-triaza-tetracyclo[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2(26),3,5,8,10,12(27),16,21,23-decaene citrate salt
  参考文献：
  名称：

  [EN] 11-(2-PYRROLIDIN-1-YL-ETHOXY)-14,19-DIOXA-5,7,26-TRIAZA-TETRACYCLO[19.3.1.1(2,6)1(8,12)]HEPTACOSA-1(25),2(26),3,5,8,10,12(27),16,21,23-DECAENE CITRATE SALT
  [FR] SEL DE CITRATE DE 11-(2-PYRROLIDIN-1-YL-ÉTHOXY)-14,19-DIOXA-5,7,26-TRIAZA-TÉTRACYCLO[19.3.1.1(2,6)1(8,12)]HEPTACOSA-1(25),2(26),3,5,8,10,12(27)J16,21,23-DÉCAÈNE

  摘要：

  公开号：

  WO2010068181A8

文献信息

• COMPOUND JK12A AND PREPARATION THEREOF
  申请人：Lianyungang Jinkang Hexin Pharmaceutical Co. Ltd.

  公开号：EP2837632A1

  公开（公告）日：2015-02-18

  The present invention relates to the compound [4-(2-amino-10-methyl-4-oxo-6,7,8,9-tetrahydro-4a,7-cycloimino-pyrimido[4,5-b] [1,4] diazepine-5(4H)-yl)benzoyl]-glutamate (JK12A for short) with the structure of Formula I. The present invention also relates to the crystal form and salt of the compound JK12A, and preparation methods and applications thereof The compound JK12A of the present invention can be used to prepare drugs as an active ingredient for medicaments or food additives.

  本发明涉及具有式 I 结构的化合物[4-(2-氨基-10-甲基-4-氧代-6,7,8,9-四氢-4a,7-环亚氨基-嘧啶并[4,5-b] [1,4] 二氮杂卓-5(4H)-基)苯甲酰]-谷氨酸（简称 JK12A）。本发明还涉及化合物 JK12A 的晶型和盐及其制备方法和应用。本发明的化合物 JK12A 可用于制备药物，作为药物或食品添加剂的活性成分。
• 11-(2-PYRROLIDIN-1-YL-ETHOXY)-14,19-DIOXA-5,7,26-TRIAZA-TETRACYCLO[19.3.1.1(2,6)1(8,12)]HEPTACOSA-1(25),2(26),3,5,8,10,12(27),16,21,23-DECAENE CITRATE SALT
  申请人：CTI BIOPHARMA CORP.

  公开号：EP2376499B1

  公开（公告）日：2015-02-25
• Derivatives of triazabicyclo[3.2.1]octane useful for the treatment of proliferative diseases
  申请人：Lianyungang Jinkang Hexin Pharmaceutical Co. Ltd.

  公开号：EP2837632B1

  公开（公告）日：2016-05-18
• 11-(2-PYRROLIDIN-1-YL-ETHOXY)-14,19-DIOXA-5,7,26-TRIAZA-TETRACYCLO[19.3.1.1(2,6).1(8,12)]HEPTACOSA-1(25),2(26),3,5,8,10,12(27),16,21,23-DECAENE CITRATE SALT
  申请人：Dymock Brian

  公开号：US20110294831A1

  公开（公告）日：2011-12-01

  The present invention relates to certain salts of a 11-(2-pyrrolidin-1-yl-ethoxy)-14,19-dioxa-5,7,26-triaza-tetracyclo[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2(26),3,5,8,10,12(27),16,21,23-decaene (Compound I) which have been found to have improved properties. In particular the present invention relates to the citrate salt of this compound. The invention also relates to pharmaceutical compositions containing the citrate salt and methods of use of the citrate salt in the treatment of certain medical conditions.
• COMPOUND JK12A AND PREPARATION THEREOF
  申请人：LIANYUNGANG JINKANG HEXIN PHARMACEUTICAL CO., LTD.

  公开号：US20150065708A1

  公开（公告）日：2015-03-05

  The present invention relates to a compound [4-(2-amino-10-methyl-4-oxo-6,7,8,9-tetrahydro-4a,7-cycloimino-pyrimido[4,5-b][1,4]diazepine-5(4H)-yl)benzoyl]-glutamate (JK12A for short) with the structure in Formula I. The present invention also relates to the crystal form and salt of the compound JK12A, and preparation method and applications thereof. The compound JK12A of the present invention can be used to prepare drugs as an active ingredient for medicament or food additives.