benzyl (2R,3S)-2-methyl-3-hydroxybutanoate | 89355-34-0

• 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: benzyl (2R,3S)-2-methyl-3-hydroxybutanoate
• 英文别名: benzyl (2S,3R)-3-hydroxy-2-methylbutanoate
• CAS: 89355-34-0
• 化学式: C₁₂H₁₆O₃
• 分子量: 208.257
• InChiKey: VDARBCCMTDKLBW-VHSXEESVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Nε-Z-NAlpha-叔丁氧羰基-L-赖氨酸羟基琥珀酰亚胺酯 、 benzyl (2R,3S)-2-methyl-3-hydroxybutanoate 在 碳酸氢钠 作用下， 以 1,4-二氧六环 、 水 为溶剂， 生成 (2S,3R)-2-((S)-6-Benzyloxycarbonylamino-2-tert-butoxycarbonylamino-hexanoylamino)-3-hydroxy-butyric acid benzyl ester
  参考文献：
  名称：

  PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER

  摘要：

  Provided are an analog compound of an oligopeptide AQTGTGKT, which exhibits an excellent anticancer effect and is stably present in human blood, a pharmaceutical composition including the same as an active ingredient, and a preparation method thereof, wherein the analog compound advantageously exhibits an excellent effect of suppressing the proliferation of cancer cells, has less immune responses, and easily penetrates into tissue due to smaller molecular weights of oligopeptide preparations than those of antibodies, therefore it can be used as a useful anticancer agent for treating cancer.

  公开号：

  US20230159587A1
• 作为产物：
  描述：

  乙酰丙酮苄酯 在 Rhodococcus ruber alcohol dehydrogenase 、 potassium carbonate 、 还原型辅酶Ⅰ 作用下， 以 异丙醇 、 丙酮 为溶剂， 反应 42.08h， 生成 benzyl (2R,3S)-2-methyl-3-hydroxybutanoate 、 苄基(2S,3R)-2-甲基-3-羟基丁酸酯
  参考文献：
  名称：

  通过使用纯化/过表达的醇脱氢酶的动态动力学拆分获得对映纯α-烷基-β-羟基酯

  摘要：

  通过使用纯化或粗制的大肠杆菌过表达的醇脱氢酶（ADHs）的动态动力学拆分（DKR）获得α-烷基-β-羟基酯。ADH-A从R.曲霉，CPADH从近平滑念珠菌从和TesADH T. ethanolicus得到顺式- （2- [R，3小号）具有非常高的选择性为空间位不受阻碍酮（“小体积大的”底物）的衍生物，而的ADH来自S. yanoikuyae（SyADH）和Ralstonia sp。（RasADH）也可以接受更大的酮酯（“大块状”底物）。SyADH还提供了优先顺式- （2- ř，3 S）异构体和RasADH在某些情况下显示出对形成抗-（2 S，3 S）衍生物的良好选择性。与抗作为LBADH这样普雷洛格的ADH从短乳杆菌或从LKADH克菲尔乳杆菌，顺式- （2-小号，3 - [R ）与高转化率和对映体过量在某些情况下，特别是与LBADH得到醇。此外，由于这些底物在热力学上有利于还原，因此可以仅

  DOI：

  10.1002/adsc.201200139

文献信息

• Aztreonam derivatives and uses thereof
  申请人：ARIXA PHARMACEUTICALS, INC.

  公开号：US10815228B2

  公开（公告）日：2020-10-27

  Disclosed herein are aztreonam derivatives, therapeutic methods of using the aztreonam derivatives, particularly in combination with β-lactamase inhibitors, and pharmaceutical compositions thereof. The aztreonam derivatives can be administered orally to provide orally bioavailable aztreonam.

  本文公开了阿曲萘胺衍生物、使用阿曲萘胺衍生物（特别是与β-内酰胺酶抑制剂结合使用）的治疗方法及其药物组合物。这些阿兹曲南衍生物可以口服给药，以提供口服生物可利用的阿兹曲南。
• AZTREONAM DERIVATIVES AND USES THEREOF
  申请人：ARIXA PHARMACEUTICALS, INC.

  公开号：US20190211006A1

  公开（公告）日：2019-07-11

  Disclosed herein are aztreonam derivatives, therapeutic methods of using the aztreonam derivatives, particularly in combination with β-lactamase inhibitors, and pharmaceutical compositions thereof. The aztreonam derivatives can be administered orally to provide orally bioavailable aztreonam.
• US7550146B2
  申请人：——

  公开号：US7550146B2

  公开（公告）日：2009-06-23
• Access to Enantiopure α-Alkyl-β-hydroxy Esters through Dynamic Kinetic Resolutions Employing Purified/Overexpressed Alcohol Dehydrogenases
  作者：Aníbal Cuetos、Ana Rioz-Martínez、Fabricio R. Bisogno、Barbara Grischek、Iván Lavandera、Gonzalo de Gonzalo、Wolfgang Kroutil、Vicente Gotor

  DOI：10.1002/adsc.201200139

  日期：2012.6.18

  and Ralstonia sp. (RasADH) could also accept bulkier keto esters (‘bulky‐bulky’ substrates). SyADH also provided preferentially syn‐(2R,3S) isomers and RasADH showed in some cases good selectivity towards the formation of anti‐(2S,3S) derivatives. With anti‐Prelog ADHs such as LBADH from L. brevis or LKADH from L. kefir, syn‐(2S,3R) alcohols were obtained with high conversions and diastereomeric excess

  通过使用纯化或粗制的大肠杆菌过表达的醇脱氢酶（ADHs）的动态动力学拆分（DKR）获得α-烷基-β-羟基酯。ADH-A从R.曲霉，CPADH从近平滑念珠菌从和TesADH T. ethanolicus得到顺式- （2- [R，3小号）具有非常高的选择性为空间位不受阻碍酮（“小体积大的”底物）的衍生物，而的ADH来自S. yanoikuyae（SyADH）和Ralstonia sp。（RasADH）也可以接受更大的酮酯（“大块状”底物）。SyADH还提供了优先顺式- （2- ř，3 S）异构体和RasADH在某些情况下显示出对形成抗-（2 S，3 S）衍生物的良好选择性。与抗作为LBADH这样普雷洛格的ADH从短乳杆菌或从LKADH克菲尔乳杆菌，顺式- （2-小号，3 - [R ）与高转化率和对映体过量在某些情况下，特别是与LBADH得到醇。此外，由于这些底物在热力学上有利于还原，因此可以仅
• PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER
  申请人：L-BASE CO., LTD.

  公开号：US20230159587A1

  公开（公告）日：2023-05-25

  Provided are an analog compound of an oligopeptide AQTGTGKT, which exhibits an excellent anticancer effect and is stably present in human blood, a pharmaceutical composition including the same as an active ingredient, and a preparation method thereof, wherein the analog compound advantageously exhibits an excellent effect of suppressing the proliferation of cancer cells, has less immune responses, and easily penetrates into tissue due to smaller molecular weights of oligopeptide preparations than those of antibodies, therefore it can be used as a useful anticancer agent for treating cancer.