3,6-diamino-N-[[(8Z)-15-amino-11-(2-amino-1,4,5,6-tetrahydropyrimidin-4-yl)-8-[(carbamoylamino)methylidene]-2-(hydroxymethyl)-3,6,9,12,16-pentaoxo-1,4,7,10,13-pentazacyclohexadec-5-yl]methyl]hexanamide;sulfuric acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 3,6-diamino-N-[[(8Z)-15-amino-11-(2-amino-1,4,5,6-tetrahydropyrimidin-4-yl)-8-[(carbamoylamino)methylidene]-2-(hydroxymethyl)-3,6,9,12,16-pentaoxo-1,4,7,10,13-pentazacyclohexadec-5-yl]methyl]hexanamide;sulfuric acid
• 化学式: C25H46N14O12S
• 分子量: 766.8
• InChiKey: AJQVUIHGEOLMDY-SOCRLDLMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -8.89
• 重原子数：
  52
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  461
• 氢给体数：
  16
• 氢受体数：
  16

文献信息

• DESMOCOLLIN 1 INHIBITORS FOR THE PREVENTION OR TREATMENT OF ATHEROSCLEROSIS
  申请人：GENEST Jacques

  公开号：US20200129535A1

  公开（公告）日：2020-04-30

  There are provided compositions and methods for prevention or treatment of atherosclerosis and related disorders. More specifically, there are provided desmocollin 1 inhibitor compounds and pharmaceutical compositions thereof for use in the prevention or treatment of atherosclerosis and related disorders and/or for promotion of HDL biogenesis in a subject.