2'-Deoxy-3-methyl-3,4-dihydrocytidine | 5040-21-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2'-Deoxy-3-methyl-3,4-dihydrocytidine
• 英文别名: 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-4H-pyrimidin-2-one
• CAS: 5040-21-1
• 化学式: C₁₀H₁₇N₃O₄
• 分子量: 243.26
• InChiKey: LVMJWUXGGRMAIW-QRDCSKFFSA-N

物化性质

• 沸点：
  429.4±55.0 °C(Predicted)
• 密度：
  1.58±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.6
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  99.3
• 氢给体数：
  3
• 氢受体数：
  5

文献信息

• [EN] ANTI-CANCER AGENTS<br/>[FR] AGENTS ANTI-CANCEREUX
  申请人：ISIS INNOVATION

  公开号：WO2004058252A2

  公开（公告）日：2004-07-15

  A pharmaceutical combination which comprises: (a) a compound of one of the formulae: formula (I) wherein each of RI and RII, which max be the same or different, represents hydrogen, fluorine or alkyl of 1 to 6 carbon atoms, X represents CRIRII, NRIII or O wherein RIII is hydrogen or alkyl of 1 to 6 carbon atoms, each of Y and Z, which may be the same or different, represents hydrogen, NRIII, OH or SH, or Y and Z together represents =O or =S, or formula (II) where R1 to R11 may independently be H, a branched or straight C1 to C6 alkyl chain, OH, O-alkyl having a branched or straight C1 to C6 alkyl chain optionally containing 1 or 2 N, O or S atoms, COOH, a branched or straight C1 to C6 alkyl ester (alkoxycarbonyl), a 4 to 7 membered heterocyclic ring optionally containing 1 or 2 N, S, O or P atoms or a 5 or 6 membered aromatic ring, optionally containing 1 or more N, O or S atoms, which can be fused to another ring, or a said alkyl chain substituted by a said aromatic ring, and formula (A) represents formula (B) or formula (C) or a pharmaceutically acceptable salt of a said compound; and (b) an anti-cancer alkylating agent. This combination is useful in the treatment of cancer.