eudistomin Y9 | 1384431-86-0

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 哈马拉生物碱
• 英文名称: eudistomin Y9
• 英文别名: 2-bromo-4-[(6-bromo-9H-pyrido[3,4-b]indol-1-yl)-hydroxymethyl]phenol
• CAS: 1384431-86-0
• 化学式: C₁₈H₁₂Br₂N₂O₂
• 分子量: 448.113
• InChiKey: SYELWJGGJBFZFS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  69.1
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  eudistomin Y9 在 lithium aluminium tetrahydride 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 3.0h， 生成 eudistomin Y13
  参考文献：
  名称：

  Beta-carboline alkaloids derived from the ascidian Synoicum sp.

  摘要：

  Six beta-carboline alkaloids (1-6) of the eudistomin Y class were isolated from the Korean ascidian Synoicum sp. These compounds were chemically converted to a known compound, eudistomin Y-1 (7) and six new derivatives, designated eudistomins Y-8-Y-13 (8-13). Several of these natural and synthetic compounds exhibited moderate to significant antimicrobial activity, weak cytotoxic activity, and inhibitory activities toward sortase A, isocitrate lyase, and Na+/K+-ATPase. Structure-activity relationships were also deduced. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2012.05.002
• 作为产物：
  描述：

  eudistomin Y₄ 在 sodium tetrahydroborate 、 氯化铵 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 4.0h， 以13.3 mg的产率得到eudistomin Y9
  参考文献：
  名称：

  Beta-carboline alkaloids derived from the ascidian Synoicum sp.

  摘要：

  Six beta-carboline alkaloids (1-6) of the eudistomin Y class were isolated from the Korean ascidian Synoicum sp. These compounds were chemically converted to a known compound, eudistomin Y-1 (7) and six new derivatives, designated eudistomins Y-8-Y-13 (8-13). Several of these natural and synthetic compounds exhibited moderate to significant antimicrobial activity, weak cytotoxic activity, and inhibitory activities toward sortase A, isocitrate lyase, and Na+/K+-ATPase. Structure-activity relationships were also deduced. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2012.05.002

文献信息

• Beta-carboline alkaloids derived from the ascidian Synoicum sp.
  作者：Tae Hyung Won、Ju-eun Jeon、So-Hyoung Lee、Boon Jo Rho、Ki-Bong Oh、Jongheon Shin

  DOI：10.1016/j.bmc.2012.05.002

  日期：2012.7

  Six beta-carboline alkaloids (1-6) of the eudistomin Y class were isolated from the Korean ascidian Synoicum sp. These compounds were chemically converted to a known compound, eudistomin Y-1 (7) and six new derivatives, designated eudistomins Y-8-Y-13 (8-13). Several of these natural and synthetic compounds exhibited moderate to significant antimicrobial activity, weak cytotoxic activity, and inhibitory activities toward sortase A, isocitrate lyase, and Na+/K+-ATPase. Structure-activity relationships were also deduced. (C) 2012 Elsevier Ltd. All rights reserved.