3-methyl-1,2-benzisoxazol-6-yl 5-thio-β-D-xylopyranoside | 1001434-60-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并异恶唑
• 英文名称: 3-methyl-1,2-benzisoxazol-6-yl 5-thio-β-D-xylopyranoside
• 英文别名: (2R,3R,4S,5S)-2-[(3-methyl-1,2-benzoxazol-6-yl)oxy]thiane-3,4,5-triol
• CAS: 1001434-60-1
• 化学式: C₁₃H₁₅NO₅S
• 分子量: 297.332
• InChiKey: PAFDBVCIGAIAKW-GWNIPJSYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  121
• 氢给体数：
  3
• 氢受体数：
  7

文献信息

• 5-Thioxylopyranose Compounds
  申请人：THOMAS Didier

  公开号：US20090118325A1

  公开（公告）日：2009-05-07

  5-thioxylose compounds, especially 5-thioxylopyranose compounds, a process for their preparation, and their use for treating and/or inhibiting thromboses, especially venous thromboses. The compounds correspond to formula I: in which the pentapyranosyl group represents a free or substituted 5-thio-β-D-xylopyranosyl group; R′, R″ and R′″ each independently represent a hydrogen atom, a C 2 -C 6 acyl group, or two adjacent ones of them form a 1-methylethylidene bridge; X 1 and X 2 each represent carbon or nitrogen; Y 1 and Y 2 each independently represent carbon, nitrogen, sulfur or oxygen, with the proviso that if Y 2 represents oxygen or sulfur, then Y 1 represents carbon or nitrogen; R 1 , R 2 , R 3 , R 4 and R 5 each independently represent hydrogen, a COOR 6 group where R 6 represents hydrogen or a C 1 -C 4 alkyl group optionally substituted by a phenyl ring, a halogen atom or a —COOR 6 group; a C 1 -C 4 alkoxy group; a C 1 -C 6 acyl group; a benzoyl group or a phenyl ring; and the addition salts and/or active metabolites of such compounds.

  含有5-硫氧基木糖化合物，尤其是5-硫氧基吡喃糖化合物，其制备方法，以及它们用于治疗和/或抑制血栓症，尤其是静脉血栓症。这些化合物对应于式I：其中五元吡喃糖基代表自由或取代的5-硫基-β-D-木糖吡喃糖基；R'、R"和R'"各自独立地代表氢原子、C2-C6酰基团，或其中的两个相邻的形成1-甲基乙烯基桥；X1和X2各代表碳或氮；Y1和Y2各自独立地代表碳、氮、硫或氧，但如果Y2代表氧或硫，则Y1代表碳或氮；R1、R2、R3、R4和R5各自独立地代表氢、COOR6基团，其中R6代表氢或C1-C4烷基基团，该基团可选地被苯环、卤素原子或-COOR6基团取代；C1-C4烷氧基团；C1-C6酰基团；苯甲酰基团或苯环；以及这些化合物的盐和/或活性代谢物。
• NOUVEAUX DERIVES DE 5-THIOXYLOPYRANOSE
  申请人：LABORATOIRES FOURNIER SA

  公开号：EP2041153B1

  公开（公告）日：2009-10-21
• US7652032B2
  申请人：——

  公开号：US7652032B2

  公开（公告）日：2010-01-26