4-Bromo-3-oxo-butyric acid octyl ester | 90835-99-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: 4-Bromo-3-oxo-butyric acid octyl ester
• 英文别名: Octyl 4-bromo-3-oxobutanoate
• CAS: 90835-99-7
• 化学式: C₁₂H₂₁BrO₃
• 分子量: 293.201
• InChiKey: PVLXSQWDOVFOND-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  16
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-Bromo-3-oxo-butyric acid octyl ester 在 yeast 作用下， 生成 octyl (3R)-4-bromo-3-hydroxybutanoate
  参考文献：
  名称：

  在面包酵母的空间过程中，介导了4-叠氮基和4-溴-3-氧代丁酸烷基酯的还原。（R）-和（S）-肉碱的合成

  摘要：

  贝克酵母还原4-叠氮基和4-溴-3-氧代丁酸乙酯，分别以高光学纯度提供（3R）（8）和（3S）（2）。

  DOI：

  10.1016/s0040-4039(00)98478-8

文献信息

• Process for producing optically active 4-halo-3-hydroxybutanoate
  申请人：——

  公开号：US20030134402A1

  公开（公告）日：2003-07-17

  There are provided a polynucleotide sequence coding for an amino acid sequence capable of preferentially producing (S)-4-bromo-3-hydroxy-butanoate by asymmetrically reducing 4-bromo-3-oxobutanoate, A DNA construct having a promoter in operative linkage with the polynucleotide sequence, a recombinant vector containing the polynucleotide sequences a transformant, a recombinant vector and the like.

  提供了一个编码氨基酸序列的多核苷酸序列，能够通过不对称还原4-溴-3-氧代丁酸而优先产生（S）-4-溴-3-羟基丁酸，具有启动子与多核苷酸序列在操作连接的DNA构建物，含有多核苷酸序列的重组载体，一种转化体，一种重组载体等。
• Modified reductase and its gene
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20040091902A1

  公开（公告）日：2004-05-13

  There are disclosed a reductase having good heat stability, which resulted in decrease in reaction time and improvement of reaction efficiency. Specifically, disclosed is an enzyme having an amino acid sequence of SEQ ID NO:1 in which at least one of the amino acids of the positions 245 and 271 of the amino acid sequence of SEQ ID NO:1 is replaced with another amino acid(s); a polynucleotide having a nucleotide sequence that encodes the amino acid sequence of said reductase; a vector containing said polynucleotide; a transformant containing said polynucleotide or said vector, and the like.

  本发明公开了一种具有良好热稳定性的还原酶，其导致反应时间减少和反应效率提高。具体而言，本发明公开了一种酶，其具有SEQ ID NO:1的氨基酸序列，其中SEQ ID NO:1的氨基酸序列的位置245和271中的至少一个氨基酸被替换为另一种氨基酸；编码所述还原酶的氨基酸序列的核苷酸序列的多聚核苷酸；包含所述多聚核苷酸的载体；包含所述多聚核苷酸或所述载体的转化体等。
• Process for producing optically active-4-halo-3-hydroxybutanoate
  申请人：Asako Hiroyuki

  公开号：US20050019816A1

  公开（公告）日：2005-01-27

  There are provided a polynucleotide sequence coding for an amino acid sequence capable of preferentially producing (S)-4-bromo-3-hydroxybutanoate by asymmetrically reducing 4-bromo-3-oxobutanoate, A DNA construct having a promoter in operative linkage with the polynucleotide sequence, a recombinant vector containing the polynucleotide sequence, a transformant, a recombinant vector and the like.

  提供了一个多核苷酸序列，编码一个能够优先产生(S)-4-溴-3-羟基丁酸的氨基酸序列，通过将4-溴-3-氧代丁酸不对称还原。该多核苷酸序列与启动子构成操作性连接的DNA构建物，重组载体含有该多核苷酸序列，转化体，重组载体等。
• Modified reductase and its gene, and use thereof
  申请人：Asako Hiroyuki

  公开号：US20050191738A1

  公开（公告）日：2005-09-01

  There is provided a reductase characterized by (i) an amino acid sequence of SEQ ID NO:1 having a substitution at amino acid position 54 or 104 or at both of the amino acid positions 54 and 104, or (ii) an amino acid sequence defined in (a) having further deletion, substitution, or addition of an amino acid or acids and the like, which reductase is provided with good heat stability and selectivity.

  提供一种还原酶，其特征为：(i) 具有SEQ ID NO:1的氨基酸序列，在氨基酸位点54或104或在氨基酸位点54和104中至少一个发生了替换，或者(ii) 在(a)中定义的氨基酸序列中进一步删除，替换或添加了氨基酸等，该还原酶具有良好的热稳定性和选择性。
• Modified reductase from Penicillium citrinum and its encoding gene
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP1378566A2

  公开（公告）日：2004-01-07

  There is disclosed a reductase having good heat stability, which results in decrease in reaction time and improvement of reaction efficiency. Specifically, disclosed is an enzyme having an amino acid sequence of SEQ ID NO: 1 in which at least one of the amino acids of the positions 245 and 271 of the amino acid sequence of SEQ ID NO:1 is replaced with another amino acid(s); a polynucleotide having a nucleotide sequence that encodes the amino acid sequence of said reductase; a vector containing said polynucleotide; a transformant containing said polynucleotide or said vector, and the like.

  本发明公开了一种具有良好热稳定性的还原酶，可缩短反应时间并提高反应效率。具体地说，本发明公开了一种酶，该酶具有 SEQ ID NO:1 的氨基酸序列，其中 SEQ ID NO:1 的氨基酸序列的第 245 位和第 271 位的至少一个氨基酸被另一个或多个氨基酸取代；一种多核苷酸，该多核苷酸具有编码所述还原酶氨基酸序列的核苷酸序列；一种含有所述多核苷酸的载体；一种含有所述多核苷酸或所述载体的转化体等。