2(1H)-Pyrimidinone, 4-amino-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-5-methyl-, (2R-cis)- | 145986-24-9

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 核苷和核苷酸类似物
• 英文名称: 2(1H)-Pyrimidinone, 4-amino-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-5-methyl-, (2R-cis)-
• 英文别名: 4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-5-methylpyrimidin-2-one
• CAS: 145986-24-9
• 化学式: C₉H₁₃N₃O₃S
• 分子量: 243.29
• InChiKey: ZQVQEBGUQLDSPM-NKWVEPMBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  113
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• USE OF A 1,3-OXATHIOLAN DERIVATIVE FOR THE TREATMENT OF HEPATITIS B INFECTION
  申请人：THE WELLCOME FOUNDATION LIMITED

  公开号：EP0583274A1

  公开（公告）日：1994-02-23
• Method of Treating Cancer and Other Conditions or Disease States Using L-Cytosine Nucleoside Analogs
  申请人：Cheng Yung-Chi

  公开号：US20090286754A1

  公开（公告）日：2009-11-19

  The present invention relates to the use of the compound according to formula (I) Where S is (A) or (B); X is H or F; R 1 is H, an acyl group, a C 1 -C 20 alkyl or ether group, a phosphate, diphosphate, triphosphate or a phosphodiester group, a (C) or (D) group; Where Nu is a radical of a biologically active compound such as an anticancer, antihyperproliferative or antiviral compound such that an amino group or hydroxyl group from said biologically active agent forms a phosphate, phosphoramidate, carbonate or urethane group with the adjacent moiety; Each R 8 is independently H, or a C 1 -C 20 alkyl or ether group, preferably H or a C 1 -C 2 alkyl group; k is 0-12, preferably, 0-2; R 2 is H, an acyl group or a C 1 -C 20 alkyl or ether group; and pharmaceutically acceptable salts, solvates or polymorphs thereof for the treatment of tumors, cancer and hyperproliferative diseases, among other conditions or disease states.
• US7951788B2
  申请人：——

  公开号：US7951788B2

  公开（公告）日：2011-05-31
• [EN] USE OF A 1,3-OXATHIOLAN DERIVATIVE FOR THE TREATMENT OF HEPATITIS B INFECTION
  申请人：THE WELLCOME FOUNDATION LIMITED OF UNICORN HOUSE

  公开号：WO1992019246A1

  公开（公告）日：1992-11-12

  (EN) The use of a 1,3-oxathiolane nucleoside analogue and pharmaceutically acceptable derivatives thereof for the treatment of hepatitis B virus infections is disclosed. Pharmaceutical formulations are also provided.(FR) On décrit l'emploi d'un analogue de nucléoside d'oxathiolane-1,3 et des dérivés pharmaceutiquement acceptables de celui-ci pour le traitement de la contamination par le virus de l'hépatite B. On présente également des formulations pharmaceutiques.