2G9S6R6BA7 | 313051-12-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2G9S6R6BA7
• 英文别名: methyl (7E)-7-[(2R)-2-[6-(4-methylphenyl)hexyl]-5-oxocyclopent-3-en-1-ylidene]heptanoate
• CAS: 313051-12-6
• 化学式: C₂₆H₃₆O₃
• 分子量: 396.57
• InChiKey: RHQDOVRJBSRATA-HPTBBYBNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  29
• 可旋转键数：
  14
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2G9S6R6BA7 在 copper(l) iodide 、 甲基锂 、 二异丁基氢化铝 作用下， 以 四氢呋喃 、 六甲基磷酰三胺 为溶剂， 反应 1.0h， 以92%的产率得到methyl (7E)-7-[(2R)-2-[6-(4-methylphenyl)hexyl]-5-oxocyclopentylidene]heptanoate
  参考文献：
  名称：

  Synthesis of neuroprotective cyclopentenone prostaglandin analogs: Suppression of manganese-induced apoptosis of PC12 cells

  摘要：

  The synthesis and evaluation for anti- and proapoptotic properties of cyclopenterione prostaglandin analogs are described. Novel J-type analogs of NEPP11 with a cross-conjugated cyclopentadienone moiety and a lipophilic omega-side chain suppressed manganese ion-induced apoptosis of PC12 cells at comparable levels to NEPP11, while monoenone derivatives were inactive. The proapoptotic activities of J-type analogs were much lower than that of NEPP11. Natural 15-deoxy-Delta(12,14)-PGJ(2) and Delta(7)-PGA(1) methyl ester were highly toxic, inducing apoptosis at lower concentrations. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.12.004
• 作为产物：
  描述：

  在 溶剂黄146 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 22.0h， 以73%的产率得到2G9S6R6BA7
  参考文献：
  名称：

  Synthesis of neuroprotective cyclopentenone prostaglandin analogs: Suppression of manganese-induced apoptosis of PC12 cells

  摘要：

  The synthesis and evaluation for anti- and proapoptotic properties of cyclopenterione prostaglandin analogs are described. Novel J-type analogs of NEPP11 with a cross-conjugated cyclopentadienone moiety and a lipophilic omega-side chain suppressed manganese ion-induced apoptosis of PC12 cells at comparable levels to NEPP11, while monoenone derivatives were inactive. The proapoptotic activities of J-type analogs were much lower than that of NEPP11. Natural 15-deoxy-Delta(12,14)-PGJ(2) and Delta(7)-PGA(1) methyl ester were highly toxic, inducing apoptosis at lower concentrations. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.12.004

文献信息

• Synthesis of neuroprotective cyclopentenone prostaglandin analogs: Suppression of manganese-induced apoptosis of PC12 cells
  作者：Kyoji Furuta、Masahide Maeda、Yoko Hirata、Shoko Shibata、Kazutoshi Kiuchi、Masaaki Suzuki

  DOI：10.1016/j.bmcl.2006.12.004

  日期：2007.10

  The synthesis and evaluation for anti- and proapoptotic properties of cyclopenterione prostaglandin analogs are described. Novel J-type analogs of NEPP11 with a cross-conjugated cyclopentadienone moiety and a lipophilic omega-side chain suppressed manganese ion-induced apoptosis of PC12 cells at comparable levels to NEPP11, while monoenone derivatives were inactive. The proapoptotic activities of J-type analogs were much lower than that of NEPP11. Natural 15-deoxy-Delta(12,14)-PGJ(2) and Delta(7)-PGA(1) methyl ester were highly toxic, inducing apoptosis at lower concentrations. (C) 2006 Elsevier Ltd. All rights reserved.