nahuoic acid A | 1416718-62-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: nahuoic acid A
• 英文别名: (E)-3-[(1R,2R,4aR,5R,7R,8R,8aS)-5,7-dihydroxy-3,4a,8-trimethyl-2-[(E,5S,7R,8S,9S)-5,7,9-trihydroxy-8,10-dimethylundec-2-en-2-yl]-2,5,6,7,8,8a-hexahydro-1H-naphthalen-1-yl]-2-methylprop-2-enoic acid
• CAS: 1416718-62-1
• 化学式: C₃₀H₅₀O₇
• 分子量: 522.723
• InChiKey: ZNAYXHSDZPSFLO-UWXUHECCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  37
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  138
• 氢给体数：
  6
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  nahuoic acid A 在 吡啶 、 4-二甲氨基吡啶 、 4-甲基苯磺酸吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 34.0h， 生成
  参考文献：
  名称：

  Nahuoic Acid A Produced by a Streptomyces sp. Isolated From a Marine Sediment Is a Selective SAM-Competitive Inhibitor of the Histone Methyltransferase SETD8

  摘要：

  The histone lysine monomethyltransferase SETD8 is an epigenetic regulator of cell cycle progression. Nahuoic acid A (1), a polyketide produced in culture by a Streptomyces sp. obtained from a tropical marine sediment, is the first known selective SAM-competitive inhibitor of SETD8. The structure of nahuoic acid A (1) has been elucidated by chemical transformation and detailed analysis of spectroscopic data.

  DOI：

  10.1021/ol303416k

文献信息

• METHOD AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF MULTIPLE MYELOMA
  申请人：INSERM (INSTITUTE NATIONAL DE LA SANTÉ ET DE LA RECHERCHE MÉDICALE)

  公开号：US20200330467A1

  公开（公告）日：2020-10-22

  The present invention relates to methods and pharmaceutical compositions for the treatment of multiple myeloma. In particular, the present invention relates to a method of treating multiple myeloma in a patient in need thereof comprising administering to the patient a therapeutically effective amount of a SETD8 inhibitor.