1,7-Bis(2,3,4-trimethoxyphenyl)hepta-1,6-diene-3,5-dione

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 1,7-Bis(2,3,4-trimethoxyphenyl)hepta-1,6-diene-3,5-dione
• 英文别名: 1,7-bis(2,3,4-trimethoxyphenyl)hepta-1,6-diene-3,5-dione
• 化学式: C₂₅H₂₈O₈
• 分子量: 456.5
• InChiKey: WWMVJJPVDTZULA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  33
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  89.5
• 氢给体数：
  0
• 氢受体数：
  8

文献信息

• NOVEL CURCUMINOID-INSPIRED SYNTHETIC COMPOUNDS AS ANTI-TUMOR AGENTS
  申请人：Laali Kenneth K.

  公开号：US20180362433A1

  公开（公告）日：2018-12-20

  Novel CUR- and CUR-BF 2 compounds exhibiting anti-tumor properties are presented. CUR compounds bearing fluorinated moieties with selective fluorine introduction into the α-carbonyl moiety as well as CUR-BF 2 adducts and CURs with diverse substitution patterns in the phenyl rings including fluorinated substituents (SCF 3 , OCF 3 , and F) and/or bulky activating groups (OMe, OAc, and OBz) are presented. Fluorinated aryl-pyrazoles and isoxazoles as well as novel CUR and CUR-BF 2 compounds with monocyclic aromatic and bicyclic-heteroaromatic lateral rings, bearing fluorine(s), OCF3, CF3, and SCF3 groups, and their alpha-carbonyl-fluorinated analogs, as well as their pyrazole and isoxazole derivatives are presented. The CUR-pyrazoles embody analogs that are fluorinated at the phenyl-pyrazole moiety. The compounds and their derivatives exhibited exceptional cytotoxic and anti-proliferative activity against several cancer cell-lines. Deuterated CUR-BF2 and CUR compounds were also synthesized.

  展示了具有抗肿瘤特性的新型CUR-和CUR-BF2化合物。这些CUR化合物带有氟化基团，选择性地将氟引入α-羰基部位，以及具有不同苯环取代模式的CUR- 加合物和CURs，包括氟取代基团（S ，O 和F）和/或体积庞大的活化基团（OMe，OAc和OBz）。展示了氟化芳基吡唑和异噁唑，以及具有单环芳香和双环杂芳侧链的新型CUR和CUR- 化合物，带有氟（s），O ，CF3和S 基团，以及它们的α-羰基-氟化类似物，以及它们的吡唑和异噁唑衍生物。CUR-吡唑体现了在苯基吡唑部位氟化的类似物。这些化合物及其衍生物对几种癌细胞系表现出出色的细胞毒性和抗增殖活性。还合成了氘代CUR- 和CUR化合物。
• Curcuminoid-inspired synthetic compounds as anti-tumor agents
  申请人：Laali Kenneth K.

  公开号：US10934241B2

  公开（公告）日：2021-03-02

  Novel CUR— and CUR—BF2 compounds exhibiting anti-tumor properties are presented. CUR compounds bearing fluorinated moieties with selective fluorine introduction into the α-carbonyl moiety as well as CUR—BF2 adducts and CURs with diverse substitution patterns in the phenyl rings including fluorinated substituents (SCF3, OCF3, and F) and/or bulky activating groups (OMe, OAc, and OBz) are presented. Fluorinated aryl-pyrazoles and isoxazoles as well as novel CUR and CUR—BF2 compounds with monocyclic aromatic and bicyclic-heteroaromatic lateral rings, bearing fluorine(s), OCF3, CF3, and SCF3 groups, and their alpha-carbonyl-fluorinated analogs, as well as their pyrazole and isoxazole derivatives are presented. The CUR-pyrazoles embody analogs that are fluorinated at the phenyl-pyrazole moiety. The compounds and their derivatives exhibited exceptional cytotoxic and anti-proliferative activity against several cancer cell-lines. Deuterated CUR—BF2 and CUR compounds were also synthesized.

  本文介绍了具有抗肿瘤特性的新型 CUR 和 CUR-BF2 化合物。介绍了在 α-羰基中选择性引入氟的含氟 CUR 化合物，以及 CUR- 加合物和在苯环中具有不同取代模式的 CUR，包括含氟取代基（S 、O 和 F）和/或大块活化基团（OMe、OAc 和 OBz）。介绍了含氟芳基吡唑和异噁唑，以及带有氟、O 、CF3 和 S 基团的单环芳香族和双环异芳香族侧环的新型 CUR 和 CUR- 化合物及其α-羰基氟化类似物，以及它们的吡唑和异噁唑衍生物。CUR 吡唑包含在苯基吡唑分子上氟化的类似物。这些化合物及其衍生物对几种癌细胞系具有卓越的细胞毒性和抗增殖活性。此外，还合成了氚代 CUR- 和 CUR 化合物。