S-[2-(Acetylamino)ethyl] 2,2-dimethylbutanethioate | 938063-64-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: S-[2-(Acetylamino)ethyl] 2,2-dimethylbutanethioate
• 英文别名: S-(2-acetamidoethyl) 2,2-dimethylbutanethioate
• CAS: 938063-64-0
• 化学式: C₁₀H₁₉NO₂S
• 分子量: 217.33
• InChiKey: NTVLKMLVMBSKDS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  71.5
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• LOV-D ACYLTRANSFERASE MEDIATED ACYLATION
  申请人：Collier Steven James

  公开号：US20120244582A1

  公开（公告）日：2012-09-27

  Methods for the improved acylation of chemical substrates using LovD acyltransferases, thioesters having acyl groups, and (i) thiol scavengers and/or (ii) precipitating agents are presented. An improved method for the production of simvastatin using (i) activated charcoal as a thiol scavenger and/or (ii) ammonium hydroxide as a precipitating agent is also presented.

  本文介绍了使用LovD酰基转移酶、具有酰基的硫酯以及（i）巯基清除剂和/或（ii）沉淀剂来改进化学底物酰化的方法。本文还介绍了一种改进的辛伐他汀生产方法，其中使用（i）活性炭作为巯基清除剂和/或（ii）氨水作为沉淀剂。
• Variant LovD polypeptide
  申请人：The Regents of the University of California

  公开号：US10246689B2

  公开（公告）日：2019-04-02

  The invention disclosed herein relates to methods and materials for producing simvastatin and related compounds such as huvastatin. In particular, the disclosure teaches that variants of the LovD acyltransferase polypeptide can be engineered to exhibit properties that facilitate their use in the production of simvastatin and/or huvastatin. The materials and processes disclosed herein are designed so that fermentation facilities lovastatin being converted to simvastatin and related compounds with minimal modifications.

  本发明涉及生产辛伐他汀和相关化合物（如胡伐他汀）的方法和材料。特别是，本发明揭示了 LovD酰基转移酶多肽的变体可以被设计成具有便于用于生产辛伐他汀和/或胡伐他汀的特性。本文所公开的材料和工艺的设计使发酵设备只需最小的改动即可将洛伐他汀转化为辛伐他汀和相关化合物。
• Lov-D acyltransferase mediated acylation
  申请人：Codexis Inc.

  公开号：US10428360B2

  公开（公告）日：2019-10-01

  Methods for the improved acylation of chemical substrates using LovD acyltransferases, thioesters having acyl groups, and (i) thiol scavengers and/or (ii) precipitating agents are presented. An improved method for the production of simvastatin using (i) activated charcoal as a thiol scavenger and/or (ii) ammonium hydroxide as a precipitating agent is also presented.

  介绍了使用 LovD酰基转移酶、具有酰基的硫代酯类和（i）硫醇清除剂和/或（ii）沉淀剂改进化学底物酰化的方法。此外，还介绍了使用 (i) 活性炭作为硫醇清除剂和/或 (ii) 氢氧化铵作为沉淀剂生产辛伐他汀的改进方法。
• Method of making variant LovD polypeptides
  申请人：THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

  公开号：US10689628B2

  公开（公告）日：2020-06-23

  The invention disclosed herein relates to methods and materials for producing simvastatin and related compounds such as huvastatin. In particular, the disclosure teaches that variants of the LovD acyltransferase polypeptide can be engineered to exhibit properties that facilitate their use in the production of simvastatin and/or huvastatin. The materials and processes disclosed herein are designed so that fermentation facilitates lovastatin being converted to simvastatin and related compounds with minimal modifications.

  本发明涉及生产辛伐他汀和相关化合物（如胡伐他汀）的方法和材料。特别是，本发明揭示了 LovD酰基转移酶多肽的变体可以被设计成具有有利于生产辛伐他汀和/或胡伐他汀的特性。本文所公开的材料和工艺的设计使发酵有利于将洛伐他汀转化为辛伐他汀和相关化合物，而只需进行最小的改良。
• Methods and materials for making simvastatin and related compounds
  申请人：The Regents of the University of California

  公开号：EP2032715B1

  公开（公告）日：2012-02-01