D-o,o-di-Cl-Hpla | 910635-10-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: D-o,o-di-Cl-Hpla
• 英文别名: (R)-3-(3,5-dichloro-4-hydroxy-phenyl)-2-hydroxy-propionic acid；(2R)-3-(3,5-dichloro-4-hydroxyphenyl)-2-hydroxypropanoic acid
• CAS: 910635-10-8
• 化学式: C₉H₈Cl₂O₄
• 分子量: 251.066
• InChiKey: SZTRQLJGWGDPGE-SSDOTTSWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  77.8
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  甲醇 、 D-o,o-di-Cl-Hpla 在 硫酸 作用下， 反应 2.0h， 生成 (R)-3-(3,5-dichloro-4-hydroxy-phenyl)-2-hydroxy-propionic acid methyl ester
  参考文献：
  名称：

  WO2006/100026

  摘要：

  公开号：
• 作为产物：
  描述：

  aeruginosin GE642 在 盐酸 、 水 作用下， 反应 16.0h， 生成 D-o,o-di-Cl-Hpla 、 D-缬氨酸 、 L-Choi
  参考文献：
  名称：

  Bromine- and Chlorine-Containing Aeruginosins from Microcystis aeruginosa Bloom Material Collected in Kibbutz Geva, Israel

  摘要：

  Five new natural products, aeruginosins GE686 (1), GE766 (2), GE730 (3), GE810 (4), and GE642 (5), were isolated along with four known aeruginosins, 98C, 101, KY642, and DA688, from bloom material of the cyanobacterium Microcystis aeruginosa collected from a fish pond in Kibbutz Geva, Israel, in August 2007. Their structures were elucidated by a combination of various spectroscopic techniques, primarily NMR and MS, while the absolute configurations of the stereogenic centers were determined by Marfey's and chiral-phase HPLC methods. Two of the new aeruginosins, aeruginosins GE686 (1) and GE766 (2), contain the unprecedented D-m-Br-m'-Cl-p-hydroxyphenyllactic acid derivative. The structures and biological activities of the five new metabolites are described.

  DOI：

  10.1021/np3005612

文献信息

• Protease Inhibitors from <i>Microcystis aeruginosa</i> Bloom Material Collected from the Dalton Reservoir, Israel
  作者：Simi Adiv、Shmuel Carmeli

  DOI：10.1021/np4006844

  日期：2013.12.27

  Nine new metabolites, aeruginosins DA495A (1), DA511 (2), DA642A (3), DA642B (4), DA688 (5), DA722 (6), and DA495B (7), microguanidine DA368 (8), and anabaenopeptin DA850 (9), were isolated along with the known micropeptins MZ924, MZ939A, and MZ1019, cyanopeptolins S and SS, microcin SF608, and aeruginazoles DA1497, DA1304, and DA1274 from bloom material of the cyanobacterium Microcystis aeruginosa collected from the Dalton reservoir, Israel, in October 2007. Their structures were elucidated by a combination of various spectroscopic techniques, primarily NMR and MS, while the absolute configurations of the asymmetric centers were determined by Marfey's and chiral-phase HPLC methods. Two of the new aeruginosins, DA511 (1) and DA495A (2), contain a new Choi isomer, (2S,3aS,6S,7aS)-Choi. The structure elucidation and biological activities of the new metabolites are described.
• 2-OXO-1,2,4,5-TETRAHYDRO-1,3-BENZDIAZEPIN-3-YL-PIPERIDINE ALS CGRP-ANTAGONISTEN
  申请人：Boehringer Ingelheim International GmbH

  公开号：EP1863791B1

  公开（公告）日：2008-11-12
• CGRP-antagonisten, Verfahren zu deren Herstellung sowie deren Verwendung als Arzneimittel
  申请人：Boehringer Ingelheim International GmbH

  公开号：EP1992349B1

  公开（公告）日：2013-07-31
• EP1992349A1
  申请人：——

  公开号：EP1992349A1

  公开（公告）日：2008-11-19