2,2-dimethylpropyl (3R,5S)-3,5-dihydroxy-6-phenylmethoxyhexanoate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,2-dimethylpropyl (3R,5S)-3,5-dihydroxy-6-phenylmethoxyhexanoate
• 化学式: C₁₈H₂₈O₅
• 分子量: 324.4
• InChiKey: FEDQLFACQRTKBY-CVEARBPZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  23
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  76
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• DOUBLE-CARBONYL REDUCTASE MUTANT AND APPLICATION OF SAME
  申请人：Asymchem Laboratories (Tianjin) Co., Ltd

  公开号：EP3141601A1

  公开（公告）日：2017-03-15

  The invention provides a Diketoreductase (DKR) mutant, its nucleotide coding sequence, and an expression cassette, recombinant vector and host cell containing the sequence, as well as a method for application of the mutant to the preparation of 3R,5S-dicarbonyl compound. An ee value of the obtained 3R,5S-dicarbonyl compound is higher than 99%, and a de value is about 90%. The DKR mutant is a key pharmaceutical intermediate, and particularly provides an efficient catalyst for synthesis of a chiral dicarbonyl hexanoic acid chain of a statin drug.

  本发明提供了一种二酮还原酶（DKR）突变体、其核苷酸编码序列和含有该序列的表达盒、重组载体和宿主细胞，以及应用该突变体制备 3R,5S-二羰基化合物的方法。获得的 3R,5S-二羰基化合物的ee值高于99%，de值约为90%。DKR 突变体是一种关键的医药中间体，特别是为合成他汀类药物的手性二羰基己酸链提供了一种高效催化剂。
• Diketoreductase mutant and application thereof
  申请人：ASYMCHEM LABORATORIES (TIANJIN) CO., LTD.

  公开号：US10131883B2

  公开（公告）日：2018-11-20

  The application provides a Diketoreductase (DKR) mutant, its nucleotide coding sequence, and an expression cassette, recombinant vector and host cell containing the sequence, as well as a method for application of the mutant to the preparation of 3R,5S-dicarbonyl compound. An ee value of the obtained 3R,5S-dicarbonyl compound is higher than 99%, and a de value is about 90%. The DKR mutant is a key pharmaceutical intermediate, and particularly provides an efficient catalyst for synthesis of a chiral dicarbonyl hexanoic acid chain of a statin drug.

  本申请提供了一种二酮还原酶（DKR）突变体、其核苷酸编码序列、含有该序列的表达盒、重组载体和宿主细胞，以及应用该突变体制备 3R,5S-二羰基化合物的方法。获得的 3R,5S-二羰基化合物的ee值高于99%，de值约为90%。DKR 突变体是一种关键的医药中间体，特别是为合成他汀类药物的手性二羰基己酸链提供了一种高效催化剂。
• DIKETOREDUCTASE MUTANT AND APPLICATION THEREOF
  申请人：ASYMCHEM LABORATORIES (TIANJIN) CO., LTD.

  公开号：US20170152488A1

  公开（公告）日：2017-06-01

  The application provides a Diketoreductase (DKR) mutant, its nucleotide coding sequence, and an expression cassette, recombinant vector and host cell containing the sequence, as well as a method for application of the mutant to the preparation of 3R,5S-dicarbonyl compound. An ee value of the obtained 3R,5S-dicarbonyl compound is higher than 99%, and a de value is about 90%. The DKR mutant is a key pharmaceutical intermediate, and particularly provides an efficient catalyst for synthesis of a chiral dicarbonyl hexanoic acid chain of a statin drug.