N-(5-(((5-(t-butyl) oxazol-2-yl)methyl)thio)thiazol-2-yl)-N'-(1-((2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-2-oxo-1,2-dihydro-pyrimidin-4-yl)pimelamide

• 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: N-(5-(((5-(t-butyl) oxazol-2-yl)methyl)thio)thiazol-2-yl)-N'-(1-((2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-2-oxo-1,2-dihydro-pyrimidin-4-yl)pimelamide
• 英文别名: N'-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-N-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]heptanediamide
• 化学式: C₂₇H₃₄F₂N₆O₇S₂
• 分子量: 656.732
• InChiKey: UUZGVCADMVMXHV-DURYTUKUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  44
• 可旋转键数：
  14
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  233
• 氢给体数：
  4
• 氢受体数：
  13

文献信息

• Gemcitabine Derivatives, Compositions Comprising Same and Pharmaceutical Applications Thereof
  申请人：HANGZHOU MINSHENG INSTITUTES FOR PHARMA RESEARCH CO., LTD

  公开号：US20160304550A1

  公开（公告）日：2016-10-20

  The invention provides gemcitabine derivatives shown in the following formula (I) and preparation methods thereof. The invention further relates to a pharmaceutical composition which comprising the said gemcitabine derivatives in an effective amount and a pharmaceutically acceptable excipient or additive. The invention further provides use of the said derivatives for preparing anti-tumor drugs. The compound designed by the invention is novel in structure and has a remarkable anti-tumor activity. According to the compound designed by the invention, the preparation starting materials have extensive sources and are easily obtained, the preparation method is simple and easy to operate, and the yield of the product is high, so that industrial production on a large scale is facilitated.

  本发明提供了以下式(I)所示的吉西他滨衍生物及其制备方法。本发明还涉及一种制药组合物，其包含所述吉西他滨衍生物的有效量和药学上可接受的辅料或添加剂。本发明还提供了利用所述衍生物制备抗肿瘤药物的用途。本发明设计的化合物在结构上是新颖的，并具有显著的抗肿瘤活性。根据本发明设计的化合物，制备起始原料来源广泛且易得，制备方法简单易操作，产物收率高，从而便于大规模工业生产。
• GEMCITABINE DERIVATIVE, COMPOSITION CONTAINING THE DERIVATIVE AND PHARMACEUTICAL USE OF THE DERIVATIVE
  申请人：Hangzhou Minsheng Institutes for Pharma Research Co., Ltd.

  公开号：EP3078671A1

  公开（公告）日：2016-10-12

  The invention provides gemcitabine derivatives shown in the following formula (I) and preparation methods thereof. The invention further relates to a pharmaceutical composition which comprising the said gemcitabine derivatives in an effective amount and a pharmaceutically acceptable excipient or additive. The invention further provides use of the said derivatives for preparing anti-tumor drugs. The compound designed by the invention is novel in structure and has a remarkable anti-tumor activity. According to the compound designed by the invention, the preparation starting materials have extensive sources and are easily obtained, the preparation method is simple and easy to operate, and the yield of the product is high, so that industrial production on a large scale is facilitated.

  本发明提供下式（I）所示的吉西他滨衍生物及其制备方法。本发明还涉及一种药物组合物，其中包含有效量的上述吉西他滨衍生物和药学上可接受的赋形剂或添加剂。本发明进一步提供了上述衍生物制备抗肿瘤药物的用途。本发明设计的化合物结构新颖，具有显著的抗肿瘤活性。根据本发明设计的化合物，制备起始原料来源广泛，容易获得，制备方法简单，易于操作，产品收率高，便于大规模工业化生产。
• US9944670B2
  申请人：——

  公开号：US9944670B2

  公开（公告）日：2018-04-17