14-ethyl-7,10,12,13-tetrahydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydro-pyran-2-yloxy)-6-[3-hydroxy-6-methyl-4-(2-{2-[(thiazol-2-ylmethyl)-amino]-ethylamino}-ethylamino)-tetrahydro-pyran-2-yloxy]-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one | 916483-24-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 14-ethyl-7,10,12,13-tetrahydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydro-pyran-2-yloxy)-6-[3-hydroxy-6-methyl-4-(2-{2-[(thiazol-2-ylmethyl)-amino]-ethylamino}-ethylamino)-tetrahydro-pyran-2-yloxy]-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one
• CAS: 916483-24-4
• 化学式: C₄₃H₇₈N₄O₁₃S
• 分子量: 891.177
• InChiKey: ROTYXUASOVRHDP-KYTGTITISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.44
• 重原子数：
  61.0
• 可旋转键数：
  15.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  242.81
• 氢给体数：
  9.0
• 氢受体数：
  18.0

反应信息

• 作为反应物：
  描述：

  14-ethyl-7,10,12,13-tetrahydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydro-pyran-2-yloxy)-6-[3-hydroxy-6-methyl-4-(2-{2-[(thiazol-2-ylmethyl)-amino]-ethylamino}-ethylamino)-tetrahydro-pyran-2-yloxy]-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one 在 盐酸 作用下， 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Design, synthesis and in vivo activity of 9-(S)-dihydroerythromycin derivatives as potent anti-inflammatory agents

  摘要：

  The synthesis of a new class of 9-(S)-dihydroerythromycin derivatives and their anti-inflammatory activity on in vivo PMA assay are described. Modifying the desosamine sugar on the C-3' amino group, it was possible to differentiate between anti-biotic and anti-flammatory action. The compounds are completely devoid of anti-microbial effects but their anti-inflammatory properties are enhanced. These results strongly suggest the potential of macrolides as a new class of anti-inflammatory agents. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.08.076
• 作为产物：
  描述：

  9-dihydro-N-desmethylerythromycin A 在 四氢吡咯 、 四(三苯基膦)钯 、 溶剂黄146 、 tetramethylammonium triacetoxyborohydride 作用下， 以 氯仿 、 1,2-二氯乙烷 为溶剂， 反应 2.0h， 生成 14-ethyl-7,10,12,13-tetrahydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydro-pyran-2-yloxy)-6-[3-hydroxy-6-methyl-4-(2-{2-[(thiazol-2-ylmethyl)-amino]-ethylamino}-ethylamino)-tetrahydro-pyran-2-yloxy]-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one
  参考文献：
  名称：

  Design, synthesis and in vivo activity of 9-(S)-dihydroerythromycin derivatives as potent anti-inflammatory agents

  摘要：

  The synthesis of a new class of 9-(S)-dihydroerythromycin derivatives and their anti-inflammatory activity on in vivo PMA assay are described. Modifying the desosamine sugar on the C-3' amino group, it was possible to differentiate between anti-biotic and anti-flammatory action. The compounds are completely devoid of anti-microbial effects but their anti-inflammatory properties are enhanced. These results strongly suggest the potential of macrolides as a new class of anti-inflammatory agents. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.08.076