Sodium-3(-4-fluorophenyl)-2-oxopropanoate | 1994-30-5

• 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: Sodium-3(-4-fluorophenyl)-2-oxopropanoate
• 英文别名: sodium;3-(4-fluorophenyl)-2-oxopropanoate
• CAS: 1994-30-5
• 化学式: C₉H₆FO₃*Na
• 分子量: 204.133
• InChiKey: DCVSFGGVHMOTEJ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -3.31
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  57.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Sodium-3(-4-fluorophenyl)-2-oxopropanoate 生成 sodium salt of para-fluoro-L-phenylalanine
  参考文献：
  名称：

  ASANO, YASUHISA;YAMADA, AKIKO;KATO, YASUO;YAMAGUCHI, KAORI;HIBINO, YASUO;+, J. ORG. CHEM., 55,(1990) N1, C. 5567-5571

  摘要：

  DOI：

文献信息

• Asymmetric Synthesis of Fluorophenylalanines and (Trifluoromethyl)phenylalanines; the Use of Chiral Pyridoxamine-Like Pyridinophane-Zinc Complex as an Enzyme Mimic
  作者：Makoto Ando、Hiroyoshi Kuzuhara

  DOI：10.1246/bcsj.63.1925

  日期：1990.7

  Transamination reactions in the presence of zinc(II) ion between (R)- or (S)-15-aminomethyl-14-hydroxy-5,5-dimethyl-2,8-dithia[9](2,5)pyridinophane, pyridoxamine analog with planar chirality, and o...

  (R)- 或 (S)-15-aminomethyl-14-hydroxy-5,5-dimethyl-2,8-dithia[9](2,5)pyridinophane 在锌 (II) 离子存在下的氨基转移反应，具有平面手性的吡哆胺类似物，以及...
• Enzyme variants
  申请人：Technische Universität Graz

  公开号：EP2574667A1

  公开（公告）日：2013-04-03

  The present invention relates to a variant of an alpha-keto acid dependent enzyme catalyzing the oxidative decarboxylation of an alpha-keto acid having an amino acid sequence varying from that of a precursor alpha-keto acid dependent enzyme catalyzing the oxidative decarboxylation of an alpha-keto acid, said precursor enzyme comprising - a motif (A) X1X2X3X4(X)nFGX5X6NX7X8X9X10X11, wherein X1 is serine, X2 is an amino acid residue selected from the group consisting of threonine, lysine, isoleucine, arginine and glutamine, X3 is valine or alanine and X4 is an amino acid residue selected from the group consisting of valine, methionine and isoleucine, X5 and X6 are independently any amino acid residue, X7 is isoleucine or phenylalanine, X8 is an amino acid residue selected from the group consisting of lysine, glutamine, arginine and threonine, X9 is an amino acid residue selected from the group consisting of alanine, serine and glycine, X10 is leucine or isoleucine, X11 is tyrosine or phenylalanine, X is any amino acid residue, and n is an integer between 100 and 150, and - a metal ion binding motif (B) H(X12)mH(X13)oE, wherein X12 and X13 are independently any amino acid residue, m and o are independently an integer between 70 and 90, wherein amino acid residue X1 and/or amino acid residue X3 within motif (A) of the variant is an amino acid residue having a molecular volume of more than 150 Å3 and/or amino acid residue X11 within motif (A) of the variant has an amino acid residue having a molecular volume of less than 120 Å3.

  本发明涉及一种催化α-酮酸氧化脱羧的α-酮酸依赖性酶的变体，其氨基酸序列与催化α-酮酸氧化脱羧的前体α-酮酸依赖性酶的氨基酸序列不同，所述前体酶包括 - 图案 (A) X1X2X3X4(X)nFGX5X6NX7X8X9X10X11 其中 X1 是丝氨酸，X2 是选自苏氨酸、赖氨酸、异亮氨酸、精氨酸和谷氨酰胺组成的组的氨基酸残基，X3 是缬氨酸或丙氨酸，X4 是选自缬氨酸、蛋氨酸和异亮氨酸组成的组的氨基酸残基，X5 和 X6 独立地是任何氨基酸残基、X7 是异亮氨酸或苯丙氨酸，X8 是选自由赖氨酸、谷氨酰胺、精氨酸和苏氨酸组成的组的氨基酸残基，X9 是选自由丙氨酸、丝氨酸和甘氨酸组成的组的氨基酸残基，X10 是亮氨酸或异亮氨酸，X11 是酪氨酸或苯丙氨酸，X 是任何氨基酸残基，n 是 100 到 150 之间的整数，以及 - 金属离子结合基团 (B)H(X12)mH(X13)oE，其中 X12 和 X13 独立地是任何氨基酸残基，m 和 o 独立地是介于 70 和 90 之间的整数、 其中变体图案（A）中的氨基酸残基 X1 和/或氨基酸残基 X3 是分子体积大于 150 Å3 的氨基酸残基，和/或变体图案（A）中的氨基酸残基 X11 是分子体积小于 120 Å3 的氨基酸残基。
• ASANO, YASUHISA;YAMADA, AKIKO;KATO, YASUO;YAMAGUCHI, KAORI;HIBINO, YASUO;+, J. ORG. CHEM., 55,(1990) N1, C. 5567-5571
  作者：ASANO, YASUHISA、YAMADA, AKIKO、KATO, YASUO、YAMAGUCHI, KAORI、HIBINO, YASUO、+

  DOI：——

  日期：——