2-[(4R,6S,7R,9R,11E,13E,16R)-6-[(2R,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-[(4R,6S,7R,9R,11E,13E,16R)-6-[(2R,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
• 化学式: C₄₆H₇₇NO₁₇
• 分子量: 916.1
• InChiKey: WBPYTXDJUQJLPQ-TZNGNTBMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  64
• 可旋转键数：
  13
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  239
• 氢给体数：
  5
• 氢受体数：
  18

文献信息

• COMPOSITIONS AND METHODS FOR DIAGNOSING AND TREATING DISEASES AND DISORDERS ASSOCIATED WITH MUTANT KCNJ5
  申请人：The Rockefeller University

  公开号：US20200147113A1

  公开（公告）日：2020-05-14

  The present invention relates to the discovery that mutant KCNJ5 is associated with adrenal diseases and disorders. The invention includes compositions and methods for the diagnosis and treatment of adrenal diseases and disorders, based upon the presence or absence of a KCNJ5 mutation that is associated with an adrenal disease or disorder.