(2S,3S,4S,5R,6S)-6-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[(2S,3R)-4-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物 - 木脂素苷
• 英文名称: (2S,3S,4S,5R,6S)-6-[2-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[(2S,3R)-4-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
• 化学式: C₃₁H₄₀O₁₆
• 分子量: 668.6
• InChiKey: ZTIGTAYWNKMMOE-HDGFQPIESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  47
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  262
• 氢给体数：
  9
• 氢受体数：
  16

文献信息

• CANCER THERAPY
  申请人：TriAct Therapeutics, Inc.

  公开号：US20140249099A1

  公开（公告）日：2014-09-04

  The present application relates to compositions and methods for treating a proliferative disorder by administering to a subject a pharmaceutical composition of a dual kinase inhibitor metabolite. Catecholic butane metabolites can serve as dual kinase inhibitors for purposes of methods described herein.
• US9834575B2
  申请人：——

  公开号：US9834575B2

  公开（公告）日：2017-12-05
• [EN] CANCER THERAPY<br/>[FR] CANCÉROTHÉRAPIE
  申请人：TRIACT THERAPEUTICS INC

  公开号：WO2014134202A1

  公开（公告）日：2014-09-04

  The present application relates to compositions and methods for treating a proliferative disorder by administering to a subject a pharmaceutical composition of a dual kinase inhibitor metabolite. Catecholic butane metabolites can serve as dual kinase inhibitors for purposes of methods described herein. Proliferative diseases are a serious threat to modem society. Cancerous growths, including malignant cancerous growth, pose serious challenges for modem medicine due to their unique characteristics.