(+)-trans-2-(2,4-dichloro-5-fluorophenyl)-5,7-dihydroxy-8-(2-hydroxymethyl-1-methyl-pyrrolidin-3-yl)-chromen-4-one citrate

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: (+)-trans-2-(2,4-dichloro-5-fluorophenyl)-5,7-dihydroxy-8-(2-hydroxymethyl-1-methyl-pyrrolidin-3-yl)-chromen-4-one citrate
• 英文别名: 2-(2,4-Dichloro-5-fluorophenyl)-5,7-dihydroxy-8-[2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]chromen-4-one;2-hydroxypropane-1,2,3-tricarboxylic acid
• 化学式: C₆H₈O₇*C₂₁H₁₈Cl₂FNO₅
• 分子量: 646.407
• InChiKey: NWIJOMWYOABPDT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.85
• 重原子数：
  43
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  222
• 氢给体数：
  7
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  (+)-trans-2-(2,4-dichloro-5-fluorophenyl)-8-(2-hydroxymethyl-1-methyl-pyrrolidin-3-yl)-5,7-dimethoxy-chromen-4-one 在 吡啶盐酸盐 作用下， 以 甲醇 为溶剂， 反应 1.67h， 生成 (+)-trans-2-(2,4-dichloro-5-fluorophenyl)-5,7-dihydroxy-8-(2-hydroxymethyl-1-methyl-pyrrolidin-3-yl)-chromen-4-one citrate
  参考文献：
  名称：

  WO2007/148158

  摘要：

  公开号：

文献信息

• NOVEL ENANTIOMERICALLY PURE COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS
  申请人：Sivakumar Meenakshi

  公开号：US20100179210A1

  公开（公告）日：2010-07-15

  The present invention relates to an enantiomerically pure (+)-trans-enantiomer of a compound represented by the following formula (I): wherein R 1 , R 2 , R 3 , R 4 and R 9 are as defined in the specification; enantiomerically pure intermediates thereof, to processes for the preparation of the enantiomerically pure compound and its intermediates, and to a pharmaceutical composition comprising the enantiomerically pure compound. The compound of formula (I) is useful for the treatment of diseases or disorders mediated by the inhibition of cyclin dependant kinase, such as cancer.

  本发明涉及一种由以下式（I）表示的化合物的对映纯（+）-反式对映体：其中R1、R2、R3、R4和R9如规范中定义；其对映纯中间体；制备对映纯化合物及其中间体的方法；以及包含对映纯化合物的药物组合物。式（I）的化合物对于治疗由细胞周期依赖性激酶抑制介导的疾病或紊乱，如癌症，是有用的。
• INHIBITORS OF CYCLIN DEPENDENT KINASES AND THEIR USE
  申请人：Lal Bansi

  公开号：US20070015802A1

  公开（公告）日：2007-01-18

  The present invention relates to novel compounds for the inhibition of cyclin-dependent kinases, and more particularly, to chromenone derivatives of formula (Ic) wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 and A have the meanings indicated in the claims. The invention also relates to processes for the preparation of the compounds of formula (Ia), to methods of inhibiting cyclin-dependent kinases and of inhibiting cell proliferation, to the use of the compounds of formula (Ic) in the treatment and prophylaxis of diseases, which can be treated or prevented by the inhibition of cyclin-dependent kinases such as cancer, to the use of the compounds of formula (Ic) in the preparation of medicaments to be applied in such diseases. The invention further relates to compositions containing a compound of formula (Ic) either alone or in combination with another active agent, in admixture or otherwise in association with an inert carrier, in particular pharmaceutical compositions containing a compound of formula (Ic) either alone or in combination with another active agent, together with pharmaceutically acceptable carrier substances and auxiliary substances.

  本发明涉及一种新型化合物，用于抑制细胞周期蛋白依赖性激酶，特别是公式(Ic)的香豆素衍生物，其中R1、R2、R3、R4、R5、R6、R7和A的含义如权利要求所示。本发明还涉及制备公式(Ia)化合物的方法，抑制细胞周期蛋白依赖性激酶和抑制细胞增殖的方法，以及使用公式(Ic)化合物在治疗和预防细胞周期蛋白依赖性激酶抑制剂可治疗或预防的疾病，如癌症，以及使用公式(Ic)化合物制备应用于这些疾病的药物。本发明还涉及含有公式(Ic)化合物的组合物，单独或与另一种活性剂联合使用，与惰性载体混合或以其他方式与惰性载体相结合，特别是含有公式(Ic)化合物的药物组合物，单独或与另一种活性剂联合使用，以及与药用载体物质和辅助物质相结合。
• ENANTIOMERICALLY PURE FLAVONE DERIVATIVES FOR THE TREATMENT OF POLIFERATIVE DISORDERS AND PROCESSES FOR THEIR PREPARATION
  申请人：Piramal Life Sciences Limited

  公开号：EP2046738A1

  公开（公告）日：2009-04-15
• ENANTIOMERICALLY PURE FLAVONE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISORDERS AND PROCESSES FOR THEIR PREPARATION
  申请人：Piramal Enterprises Limited

  公开号：EP2046738B1

  公开（公告）日：2014-06-11
• US7884127B2
  申请人：——

  公开号：US7884127B2

  公开（公告）日：2011-02-08