2-[(3R,6S,9R,12S,18S,21R,24S)-6-benzyl-18-[3-(diaminomethylideneamino)propyl]-3-(ethylcarbamoyl)-5,8,11,14,17,20,23,26-octaoxo-9,21-bis(sulfanylmethyl)-24-[4-[(3,6,8-trisulfopyren-1-yl)carbamothioylamino]butyl]-1-thia-4,7,10,13,16,19,22,25-octazacycloheptacos-12-yl]acetic 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: 2-[(3R,6S,9R,12S,18S,21R,24S)-6-benzyl-18-[3-(diaminomethylideneamino)propyl]-3-(ethylcarbamoyl)-5,8,11,14,17,20,23,26-octaoxo-9,21-bis(sulfanylmethyl)-24-[4-[(3,6,8-trisulfopyren-1-yl)carbamothioylamino]butyl]-1-thia-4,7,10,13,16,19,22,25-octazacycloheptacos-12-yl]acetic acid
• 化学式: C₅₇H₇₂N₁₄O₂₀S₇
• 分子量: 1497.7
• InChiKey: HAIKQDYXBDGOQF-DYUIZERWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.7
• 重原子数：
  98
• 可旋转键数：
  21
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  635
• 氢给体数：
  19
• 氢受体数：
  25

文献信息

• NOVEL IMAGING METHOD
  申请人：Newton Ben

  公开号：US20100316565A1

  公开（公告）日：2010-12-16

  The present invention relates to a method useful in facilitating the identification of fibrogenesis in a subject. The method of the invention is particularly useful when applied as part of a method to diagnose fibrogenesis of the liver. The invention also provides a compound for use in a method for identification of fibrogenesis in a subject A further aspect of the invention is a compound for use in the preparation of a medicament for use in a method for identification of fibrogenesis in a subject.
• US8834843B2
  申请人：——

  公开号：US8834843B2

  公开（公告）日：2014-09-16