S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] butanethioate | 2140-48-9

• 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-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] butanethioate
• CAS: 2140-48-9
• 化学式: C₂₅H₄₂N₇O₁₇P₃S
• 分子量: 837.6
• InChiKey: CRFNGMNYKDXRTN-UHFFFAOYSA-N

物化性质

• 物理描述：
  Solid

计算性质

• 辛醇/水分配系数(LogP)：
  -4.8
• 重原子数：
  53
• 可旋转键数：
  22
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  389
• 氢给体数：
  9
• 氢受体数：
  22

文献信息

• ENZYMATIC METHODS FOR BUTANOL PRODUCTION
  申请人：Newpek S.A. De C.V.

  公开号：EP3452606A1

  公开（公告）日：2019-03-13
• Pathway Analysis of Cell Culture Phenotypes and Uses Thereof
  申请人：Melville Mark

  公开号：US20090186358A1

  公开（公告）日：2009-07-23

  The present invention provides methods for systematically identifying genes, proteins and/or related pathways that regulate or indicative of cell phenotypes. The present invention further provides methods for manipulating the identified genes, proteins and/or pathways to engineer improved cell lines and/or to evaluate or select cell lines with desirable phenotypes.
• LovD MUTANTS EXHIBITING IMPROVED PROPERTIES TOWARDS SIMVASTATIN SYNTHESIS
  申请人：Tang Yi

  公开号：US20120190038A1

  公开（公告）日：2012-07-26

  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 currently producing lovastatin can be converted to producing simvastatin and related compounds with minimal modifications.
• METHODS AND MATERIALS FOR MAKING SIMVASTATIN AND RELATED COMPOUNDS
  申请人：Tang Yi

  公开号：US20120315680A1

  公开（公告）日：2012-12-13

  The invention disclosed herein relates to methods and materials for producing simvastatin and related compounds such as huvastatin.
• Process For Preparing Hyperpolarized Substrates And Method For MRI
  申请人：Aime Silvio

  公开号：US20130096420A1

  公开（公告）日：2013-04-18

  The present invention generally relates to a process for the preparation of aqueous solutions of hyperpolarized molecules ready for use in in-vivo MR diagnostic imaging, the use thereof as MRI contrast agent in investigation methods for producing diagnostic MR images of a human or non-human animal body organ, region or tissue.