辅酶 A S-十九烷酸酯 | 25045-61-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 辅酶 A S-十九烷酸酯
• 中文别名: 辅酶AS-十九烷酸酯；十九酰辅酶A
• 英文名称: nonadecanoyl-CoA
• 英文别名: S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] nonadecanethioate
• CAS: 25045-61-8
• 化学式: C₄₀H₇₂N₇O₁₇P₃S
• 分子量: 1048.0
• InChiKey: YUJZGRUJMWKAJF-ZOUGCNRJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  68
• 可旋转键数：
  37
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  389
• 氢给体数：
  9
• 氢受体数：
  22

安全信息

• WGK Germany：
  3

文献信息

• Stearoyl-CoA desaturase 4 gene
  申请人：Ntambi M. James

  公开号：US20050278795A1

  公开（公告）日：2005-12-15

  The cloning of a fourth mouse SCD gene, mSCD4, as well as its corresponding cDNA and amino acid sequences are disclosed. Mouse SCD4 is expressed mainly in the heart tissue and synthesizes the bulk of monounsaturated fatty acids in the heart. The disclosure here enables new tools (e.g., nucleic acids, polypeptides, antibodies, vectors, recombinant cells, and transgenic and knock-out animals) for studying the function of various SCD isoforms and their connection to various disease conditions. New tools for converting saturated fatty acyl-CoA to monounsaturated acyl-CoA and for identifying SCD modulators including isoform-specific modulators are also enabled. In addition, given that accumulation of lipid in the heart (fatty heart) can have deleterious consequences, the present invention also provides a new prevention and treatment target for fatty heart as well as methods for screening candidate drugs.

  本研究揭示了第四个小鼠 SCD 基因 mSCD4 的克隆及其相应的 cDNA 和氨基酸序列。小鼠 SCD4 主要在心脏组织中表达，并在心脏中合成大部分单不饱和脂肪酸。在此公开的信息提供了新的工具（如核酸、多肽、抗体、载体、重组细胞以及转基因和基因敲除动物），用于研究各种 SCD 同工酶的功能及其与各种疾病的关系。将饱和脂肪酸酰基-CoA 转化为单不饱和脂肪酸酰基-CoA 和确定 SCD 调节剂（包括同工酶特异性调节剂）的新工具也已启用。此外，鉴于脂质在心脏中的积累（脂肪型心脏）会产生有害后果，本发明还提供了一种新的预防和治疗脂肪型心脏的靶点以及筛选候选药物的方法。
• Stearoyl-CoA desaturase assay
  申请人：Ntambi M. James

  公开号：US20060281071A1

  公开（公告）日：2006-12-14

  A yeast-based method for identifying an agent that can modulate the activity of a human or mouse stearoyl-CoA desaturase (SCD) is disclosed. Further disclosed are substrate specificities of various human and mouse SCDs, which facilitate the identification of modulators for human and mouse SCDs.
• Stearoyl-CoA Desaturase 4 Gene
  申请人：Ntambi James M.

  公开号：US20090260094A1

  公开（公告）日：2009-10-15

  The cloning of a fourth mouse SCD gene, mSCD4, as well as its corresponding cDNA and amino acid sequences are disclosed. Mouse SCD4 is expressed mainly in the heart tissue and synthesizes the bulk of monounsaturated fatty acids in the heart. The disclosure here enables new tools (e.g., nucleic acids, polypeptides, antibodies, vectors, recombinant cells, and transgenic and knock-out animals) for studying the function of various SCD isoforms and their connection to various disease conditions. New tools for converting saturated fatty acyl-CoA to monounsaturated acyl-CoA and for identifying SCD modulators including isoform-specific modulators are also enabled. In addition, given that accumulation of lipid in the heart (fatty heart) can have deleterious consequences, the present invention also provides a new prevention and treatment target for fatty heart as well as methods for screening candidate drugs.
• US7285395B2
  申请人：——

  公开号：US7285395B2

  公开（公告）日：2007-10-23