[(2R,3R,5R)-4,4-difluoro-5-[6-(hexoxycarbonylamino)-2-oxopyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl] 3-phenylpropanoate

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘧啶核苷
• 英文名称: [(2R,3R,5R)-4,4-difluoro-5-[6-(hexoxycarbonylamino)-2-oxopyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl] 3-phenylpropanoate
• 化学式: C₂₅H₃₁F₂N₃O₇
• 分子量: 523.5
• InChiKey: LGHOUSSIFOZWPM-STZQEDGTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  37
• 可旋转键数：
  14
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  127
• 氢给体数：
  2
• 氢受体数：
  9

文献信息

• GEMCITABINE PRODRUGS AND USES THEREOF
  申请人：Boyen Therapeutics, Inc.

  公开号：EP2919790A1

  公开（公告）日：2015-09-23
• [EN] GEMCITABINE PRODRUGS AND USES THEREOF<br/>[FR] PROMÉDICAMENTS DE LA GEMCITABINE ET UTILISATIONS
  申请人：BOYEN THERAPEUTICS INC

  公开号：WO2014078295A1

  公开（公告）日：2014-05-22

  The present invention provides compounds according to formula I and pharmaceutically acceptable salts thereof. For compounds of formula I, R1 and R2 are independently selected from the group consisting of H, -C(=O) (CH2)2-aryl, and C(=O) (CH2)n C(=O) NH -aryl. The subscript n is from 2 to 6. R3 is selected from the group consisting of H and -C(=O)-O-R4; and R4 is selected from the group consisting of alkyl, substituted alkyl, alkenyl, substituted alkenyl, alkynyl, substituted alkynyl, arylalkyl, substituted arylalkyl, cycloheteroalkyl, substituted cycloheteroalkyl, heteroalkyl and substituted heteroalkyl. Compounds are provided wherein at least one of R1 and R2 is other than H. Pharmaceutical compositions, methods for inhibiting the growth of cancer cells, and methods for the treatment of cancer are also provided.