(1S,18S,21E,28S,29S,30S)-30-[(2S,4S,5R,6S)-5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-8-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-9,52-dihydroxy-18-[(1R)-1-hydroxyethyl]-21-(1-methoxyethylidene)-32,43,54-trioxa-3,13,23,49-tetrathia-7,17,20,27,45,51,52,55,56,57-decazadecacyclo[26.16.6.229,40.12,5.112,15.122,25.138,41.147,50.06,11.034,39]heptapentaconta-2(57),4,6,8,10,12(56),14,22(55),24,34(39),35,37,40,47,50-pentadecaene-16,19,26,31,42,46-hexone | 1030882-25-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1S,18S,21E,28S,29S,30S)-30-[(2S,4S,5R,6S)-5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-8-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-9,52-dihydroxy-18-[(1R)-1-hydroxyethyl]-21-(1-methoxyethylidene)-32,43,54-trioxa-3,13,23,49-tetrathia-7,17,20,27,45,51,52,55,56,57-decazadecacyclo[26.16.6.229,40.12,5.112,15.122,25.138,41.147,50.06,11.034,39]heptapentaconta-2(57),4,6,8,10,12(56),14,22(55),24,34(39),35,37,40,47,50-pentadecaene-16,19,26,31,42,46-hexone
• CAS: 1030882-25-7
• 化学式: C₆₀H₆₃N₁₃O₁₆S₅
• 分子量: 1382.57
• InChiKey: MNYJXGHTBFVTTE-NMPDDYJYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  94
• 可旋转键数：
  8
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  517
• 氢给体数：
  8
• 氢受体数：
  29

反应信息

• 作为产物：
  描述：

  聚合甲醛 、 (1S,18S,21E,28S,29S,30S)-8-[4-(aminomethyl)-1,3-thiazol-2-yl]-30-[(2S,4S,6S)-5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-9,52-dihydroxy-18-[(1R)-1-hydroxyethyl]-21-(1-methoxyethylidene)-32,43,54-trioxa-3,13,23,49-tetrathia-7,17,20,27,45,51,52,55,56,57-decazadecacyclo[26.16.6.229,40.12,5.112,15.122,25.138,41.147,50.06,11.034,39]heptapentaconta-2(57),4,6,8,10,12(56),14,22(55),24,34(39),35,37,40,47,50-pentadecaene-16,19,26,31,42,46-hexone 在 溶剂黄146 sodium cyanoborohydride 作用下， 以 甲醇 为溶剂， 反应 1.0h， 以80%的产率得到(1S,18S,21E,28S,29S,30S)-30-[(2S,4S,5R,6S)-5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-8-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-9,52-dihydroxy-18-[(1R)-1-hydroxyethyl]-21-(1-methoxyethylidene)-32,43,54-trioxa-3,13,23,49-tetrathia-7,17,20,27,45,51,52,55,56,57-decazadecacyclo[26.16.6.229,40.12,5.112,15.122,25.138,41.147,50.06,11.034,39]heptapentaconta-2(57),4,6,8,10,12(56),14,22(55),24,34(39),35,37,40,47,50-pentadecaene-16,19,26,31,42,46-hexone
  参考文献：
  名称：

  Antibiotic compounds

  摘要：

  某些水溶性噻唑肽是抗生素，能够治疗哺乳动物，尤其是人类的严重细菌感染。其中一些类似物也可以作为多功能中间体，用于制备具有有用抗菌活性的新衍生物。

  公开号：

  US20080132500A1

文献信息

• Antibiotic compounds
  申请人：Liu Kun

  公开号：US20080132500A1

  公开（公告）日：2008-06-05

  Certain water-soluble thiazolyl peptides are antibiotic capable of treating serious bacterial infections in mammals, and particularly, in humans. Some of the analogs can also be employed as versatile intermediates for the preparation of new derivatives with useful antibacterial activity.

  某些水溶性噻唑肽是抗生素，能够治疗哺乳动物，尤其是人类的严重细菌感染。其中一些类似物也可以作为多功能中间体，用于制备具有有用抗菌活性的新衍生物。