3-(N-(5-((2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methoxy)-2-methylpentan-2-yl)sulfamoyl)phenyl benzoate | 1198222-66-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: 3-(N-(5-((2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methoxy)-2-methylpentan-2-yl)sulfamoyl)phenyl benzoate
• 英文别名: [3-[[5-[(2,4-Dioxopyrimidin-1-yl)methoxy]-2-methylpentan-2-yl]sulfamoyl]phenyl] benzoate
• CAS: 1198222-66-0
• 化学式: C₂₄H₂₇N₃O₇S
• 分子量: 501.56
• InChiKey: UFMRTABJBHJNKU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  35
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  140
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• NOVEL URACIL COMPOUND OR SALT THEREOF HAVING HUMAN DEOXYURIDINE TRIPHOSPHATASE INHIBITORY ACTIVITY
  申请人：Fukuoka Masayoshi

  公开号：US20110082163A1

  公开（公告）日：2011-04-07

  Provided is a uracil compound or a salt thereof, which has potent human dUTPase inhibitory activity and is useful as, for example, an antitumor drug. A uracil compound represented by the general formula (I) or a salt thereof: wherein n represents an integer of 1 to 3; X represents a bond, an oxygen atom, a sulfur atom, or the like; Y represents a linear or branched alkylene group having 1 to 8 carbon atoms, or the like; and Z represents —SO 2 NR 1 R 2 or —NR 3 SO 2 —R 4 , wherein R 1 and R 2 each represent an alkyl group having 1 to 6 carbon atoms, an aralkyl group which is optionally substituted, or the like; R 3 represents an alkyl group having 1 to 6 carbon atoms, or the like; and R 4 represents an aromatic hydrocarbon group, an unsaturated heterocyclic group, or the like.

  提供了一种尿嘧啶化合物或其盐，具有强效的人类dUTPase抑制活性，可用作例如抗肿瘤药物。一种由通式（I）表示的尿嘧啶化合物或其盐：其中n表示1至3的整数；X表示键，氧原子，硫原子或类似物；Y表示具有1至8个碳原子的线性或支链烷基或类似物；Z表示—SO2NR1R2或—NR3SO2—R4，其中R1和R2分别表示具有1至6个碳原子的烷基，可选择取代的芳基烷基或类似物；R3表示具有1至6个碳原子的烷基或类似物；R4表示芳香族碳氢基，不饱和杂环基或类似物。
• NOVEL URACIL COMPOUND HAVING INHIBITORY ACTIVITY ON HUMAN DEOXYURIDINE TRIPHOSPHATASE OR SALT THEREOF
  申请人：Taiho Pharmaceutical Co., Ltd.

  公开号：EP2295414A1

  公开（公告）日：2011-03-16

  Provided is a uracil compound or a salt thereof, which has potent human dUTPase inhibitory activity and is useful as, for example, an antitumor drug. A uracil compound represented by the general formula (I) or a salt thereof: wherein n represents an integer of 1 to 3; X represents a bond, an oxygen atom, a sulfur atom, or the like; Y represents a linear or branched alkylene group having 1 to 8 carbon atoms, or the like; and Z represents -SO2NR1R2 or -NR3SO2-R4, wherein R1 and R2 each represent an alkyl group having 1 to 6 carbon atoms, an aralkyl group which is optionally substituted, or the like; R3 represents an alkyl group having 1 to 6 carbon atoms, or the like; and R4 represents an aromatic hydrocarbon group, an unsaturated heterocyclic group, or the like.

  本文提供了一种尿嘧啶化合物或其盐，它具有强效的人类 dUTP 酶抑制活性，可用作抗肿瘤药物等。 一种由通式（I）代表的尿嘧啶化合物或其盐： 其中 n 代表 1 至 3 的整数；X 代表键、氧原子、硫原子或类似物；Y 代表具有 1 至 8 个碳原子的直链或支链亚烷基或类似物；Z 代表-SO2NR1R2 或-NR3SO2-R4，其中 R1 和 R2 分别代表具有 1 至 6 个碳原子的烷基、任选取代的芳烷基或类似基团；R3 代表具有 1 至 6 个碳原子的烷基或类似基团；R4 代表芳香烃基团、不饱和杂环基团或类似基团。
• Uracil containing compounds
  申请人：CV6 Therapeutics (NI) Limited

  公开号：US11247984B2

  公开（公告）日：2022-02-15

  Provided herein are dUTPase inhibitors, compositions comprising such compounds and methods of using such compounds and compositions.

  本文提供了 dUTP 酶抑制剂、包含此类化合物的组合物以及使用此类化合物和组合物的方法。
• URACIL CONTAINING COMPOUNDS
  申请人：CV6 Therapeutics (NI) Limited

  公开号：US20200039966A1

  公开（公告）日：2020-02-06

  Provided herein are dUTPase inhibitors, compositions comprising such compounds and methods of using such compounds and compositions.
• US8530490B2
  申请人：——

  公开号：US8530490B2

  公开（公告）日：2013-09-10