chromomycin SA2 | 1336913-83-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: chromomycin SA2
• 英文别名: (2S)-2-[(2R,3S)-7-[(2S,4R,5S,6R)-5-acetyloxy-4-[(2R,4R,5R,6R)-4-hydroxy-5-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-5,10-dihydroxy-3-[(2S,4R,5R,6R)-5-hydroxy-4-[(2S,4R,5R,6R)-5-hydroxy-4-[(2S,4S,5S,6S)-4-hydroxy-4,6-dimethyl-5-(2-methylpropanoyloxy)oxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyl-4-oxo-2,3-dihydro-1H-anthracen-2-yl]-2-methoxyacetic acid
• CAS: 1336913-83-7
• 化学式: C₅₆H₈₀O₂₅
• 分子量: 1153.24
• InChiKey: APJCERXOJXYNFX-FKAWAMMXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  81
• 可旋转键数：
  19
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  339
• 氢给体数：
  7
• 氢受体数：
  25

反应信息

• 作为反应物：
  描述：

  chromomycin SA2 、 三甲基硅烷化重氮甲烷 以 甲醇 、 乙醚 为溶剂， 反应 0.5h， 以0.9 mg的产率得到methyl chromomycin SA2
  参考文献：
  名称：

  Chromomycin SA analogs from a marine-derived Streptomyces sp.

  摘要：

  Two chromomycin SA analogs, chromomycin SA(3) and chromomycin SA(2), along with deacetylchromomycin A(3) and five previously reported chromomycin analogs were isolated from a marine-derived Streptomyces sp. The structures of the new compounds were determined by spectroscopic methods including 1D and 2D NMR techniques, HRMS and chemical methods. Chromomycin SA(3) and chromomycin SA(2) are the first naturally occuring chromomycin analogs with truncated side-chains. Biological evaluation of chromomycin analogs for cytotoxicity against two non-small cell lung cancer (NSCLC) cell-lines, A549 and HCC44, demonstrated a decrease in cytotoxicity for the truncated sides chain chromomycin analogs. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.07.013