| 202647-58-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 202647-58-3
• 化学式: C₇₇H₉₄O₂₃
• 分子量: 1387.58
• InChiKey: FVUDHZWPIVYTAM-VYBCQFFASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.57
• 重原子数：
  100.0
• 可旋转键数：
  37.0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  238.97
• 氢给体数：
  1.0
• 氢受体数：
  23.0

反应信息

• 作为反应物：
  描述：

  、 在 4 A molecular sieve 、 叔丁基二甲硅基三氟甲磺酸酯 作用下， 以 二氯甲烷 为溶剂， 反应 0.17h， 以85%的产率得到
  参考文献：
  名称：

  New synthetic heparin mimetics able to inhibit thrombin and factor Xa

  摘要：

  Synthetic pentadeca-, heptadeca- and nonadecasaccharides, comprising an antithrombin III (AT III) binding pentasaccharide prolonged at the non-reducing end by a thrombin binding domain have been obtained. The pentadecasaccharide is the shortest oligosaccharide able to catalyse thrombin inhibition by AT III. The nonadecasaccharide is a more potent thrombin inhibitor than standard heparin. (C) 1999 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00155-9
• 作为产物：
  描述：

  在 乙酸肼 作用下， 以 乙醇 、 甲苯 为溶剂， 反应 2.0h， 以86%的产率得到
  参考文献：
  名称：

  Experimental Proof for the Structure of a Thrombin-Inhibiting Heparin Molecule

  摘要：

  Kinetic studies of thrombin inhibition by antithrombin in the presence of heparin have shown that thrombin binds to heparin in a preformed heparin - antithrombin complex. To study the relative position of the thrombin binding domain and the antithrombin binding domain on a heparin molecule we have designed and synthesized heparin mimetics which structurally are very similar to the genuine polysaccharide. Their inhibitory properties with respect to factor Xa and thrombin provide experimental evidence that in heparin the thrombin binding domain must be located at the nonreducing end of the antithrombin binding domain to observe thrombin inhibition. As expected, factor Xa inhibition is not affected by elongation of the antithrombin binding pentasaccharide sequence, regardless of the position in which this elongation takes place.

  DOI：

  10.1002/1521-3765(20010216)7:4<858::aid-chem858>3.0.co;2-n