2'-deoxy-5-fluorouridine 5'-(S,S-diphenylphosphorodithioate) | 125292-06-0

• 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: 2'-deoxy-5-fluorouridine 5'-(S,S-diphenylphosphorodithioate)
• 英文别名: 1-[(2R,4S,5R)-5-[bis(phenylsulfanyl)phosphoryloxymethyl]-4-hydroxyoxolan-2-yl]-5-fluoropyrimidine-2,4-dione
• CAS: 125292-06-0
• 化学式: C₂₁H₂₀FN₂O₆PS₂
• 分子量: 510.504
• InChiKey: CXCBXEAOOPPRKM-IPMKNSEASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  33
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  156
• 氢给体数：
  2
• 氢受体数：
  9

文献信息

• Mannich Base N-Oxide Drugs
  申请人：Keana John F.W.

  公开号：US20100016252A1

  公开（公告）日：2010-01-21

  Disclosed are Mannich base N-oxides of drugs containing acidic N—H groups. Pharmaceutical compositions comprising a therapeutically effective amount of Mannich base N-oxides, or a N-oxide rearrangement product, pharmaceutically acceptable salt or prodrug thereof, are also disclosed. Further, disclosed are methods of using the compounds, alone or in combination with one or more other active agents or treatments.

  本发明涉及含有酸性N-H基团的药物的Mannich碱N-氧化物。还公开了包含治疗有效量的Mannich碱N-氧化物、氧化物重排产物、药学上可接受的盐或前药的制药组合物。此外，还公开了使用该化合物的方法，单独或与一种或多种其他活性剂或治疗方法结合使用。
• 2'-Deoxy-5-fluorouridine derivatives
  申请人：TAIHO PHARMACEUTICAL CO., LTD.

  公开号：EP0331032A1

  公开（公告）日：1989-09-06

  2′-Deoxy-5-fluorouridine derivatives of the formula wherein, R¹ is hydrogen atom or an acyl group and R² and R³ are respectively hydrogen atom, an acyl group or a group of the formula wherein X¹ and X² are respectively oxygen atom or sulfur atom; R⁴ is a phenyl group, a benzyl group or a naphthyl group each of which may be substituted by an alkyl group, an alkoxyl group, an alkoxycarbonyl group, an alkyl­thio group, an acyl group, a halogen atom, trifluoromethyl group, nitro group, cyano group, carboxyl group and/or methy­lenedioxy group and R⁵ is an alkyl group, an alkenyl group or one of the groups represented by R⁴ which is the same as or different from R⁴, at least one of R² and R³ being a group of the formula which exhibit excellent antitumour activities and have lower toxicity, methods of the production thereof and antitumour compositions containing said 2′-deoxy-­5-fluorouridine derivatives.

  式中的 2′-脱氧-5-氟尿苷衍生物 其中，R¹为氢原子或酰基，R²和R³分别为氢原子、酰基或式中的基团 其中，X¹ 和 X² 分别为氧原子或硫原子；R⁴ 是苯基、苄基或萘基，每个苯基、苄基或萘基可被烷基、烷氧基、烷氧羰基、烷硫基、酰基、卤素原子、三氟甲基、硝基、氰基、羧基、卤素原子、三氟甲基、硝基、氰基、羧基取代、R⁵是烷基、烯基或与 R⁴ 相同或不同的 R⁴ 所代表的基团之一，R² 和 R³ 中至少有一个是式中的基团。 这些衍生物具有优异的抗肿瘤活性和较低的毒性，其生产方法以及含有所述 2′-脱氧-5-氟尿嘧啶衍生物的抗肿瘤组合物。
• MANNICH BASE N-OXIDE DRUGS
  申请人：State of Oregon acting by and through the Oregon State Board of Higher Education on behalf of the University of Oregon

  公开号：EP2136626A1

  公开（公告）日：2009-12-30
• US5032680A
  申请人：——

  公开号：US5032680A

  公开（公告）日：1991-07-16
• US8410075B2
  申请人：——

  公开号：US8410075B2

  公开（公告）日：2013-04-02