4-(3,3-二甲基-1-丁炔)苯甲醛 | 173592-71-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-(3,3-二甲基-1-丁炔)苯甲醛
• 英文名称: 4-(3,3-dimethylbut-1-yn-1-yl)benzaldehyde
• 英文别名: 4-(3,3-dimethyl-1-butynyl)benzaldehyde；4-(3,3-dimethylbut-1-ynyl)benzaldehyde；4-(3,3-Dimethyl-1-butynyl)-benzaldehyde
• CAS: 173592-71-7
• 化学式: C₁₃H₁₄O
• mdl: MFCD03840838
• 分子量: 186.254
• InChiKey: CXWJEINBKJSZPU-UHFFFAOYSA-N

物化性质

• 沸点：
  292.1±23.0 °C(Predicted)
• 密度：
  1.00±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.307
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2912299000

反应信息

• 作为反应物：
  描述：

  4-(3,3-二甲基-1-丁炔)苯甲醛 在 2-pyrrolidinone hydrotribromide 、 morpholinium trifluoroacetate 作用下， 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  类黄酮衍生物的合成和抗糖尿病活性。

  摘要：

  在高脂饮食诱导的肥胖小鼠中，罗罗替苷的类黄酮衍生物Fla-CN具有降血糖作用，可以改善胰岛素敏感性，改善代谢脂质疾病，并有益于某些以胰岛素抵抗为特征的疾病。Fla-CN是发现抗糖尿病和抗肥胖药的新型先导化合物。本研究报告了对Fla-CN的优化以获得一种新的衍生物10b，该衍生物在胰岛素抵抗（IR）HepG2细胞中以纳摩尔水平（EC50 = 0.3 nM）改善了葡萄糖消耗。10b还增加了糖原含量和葡萄糖摄取，并同时抑制了HepG2细胞中的糖异生。Western印迹显示10b显着增强了AMPK（AMP激活的蛋白激酶）和AS160（160 kDa的蛋白激酶B底物）的磷酸化，并降低了糖异生关键酶PEPCK（磷酸烯醇丙酮酸羧激酶）和G6P（葡萄糖6磷酸酶）的水平。 ）在HepG2细胞中。10b的潜在分子机制可能是AMPK / AS160和AMPK / PEPCK / G6P途径的激活。我们得出的结论

  DOI：

  10.1016/j.bioorg.2019.103501
• 作为产物：
  描述：

  Au(-C*C-(t)Bu)(PPh3) 、 对溴苯甲醛 在 dichlorobis(tricyclohexylphosphine)nickel(II) 作用下， 以 苯 为溶剂， 反应 4.0h， 以74%的产率得到4-(3,3-二甲基-1-丁炔)苯甲醛
  参考文献：
  名称：

  Nickel-Catalyzed Cross-Coupling of Organogold Reagents

  摘要：

  Organogold compounds undergo nickel-catalyzed cross-coupling reactions with aryl and vinyl bromides in high yield under mild conditions. The reaction tolerates both electron-rich and electron-poor organogold complexes, and olefinic bromides undergo cross-coupling with high stereoselectivity. This novel transformation links well-established nickel catalysis with more recent developments in organogold transformations.

  DOI：

  10.1021/om200060x

文献信息

• [EN] AGONISTS AND ANTAGONISTS OF THE S1P5 RECEPTOR, AND METHODS OF USES THEREOF<br/>[FR] AGONISTES ET ANTAGONISTES DU RÉCEPTEUR S1P5, ET LEURS PROCÉDÉS D'UTILISATION
  申请人：ABBOTT LAB

  公开号：WO2010093704A1

  公开（公告）日：2010-08-19

  Disclosed are compounds that are agonists or antagonists of the S1P5 receptor, compositions comprising said compounds, and methods of using said compounds and compositions. In certain embodiments, said compounds are 1-benzylazetidine-3-carboxylic acid derivatives. In certain embodiments, said methods relate to the treatment of neuropatic pain and/or a neurodegenerative disorder. In certain embodiments, said compounds may be used in combination with a second therapeutic agent.

  本文披露了作为S1P5受体激动剂或拮抗剂的化合物，包括含有这些化合物的组合物，以及使用这些化合物和组合物的方法。在某些实施例中，这些化合物是1-苄基氮杂环丙氨酸衍生物。在某些实施例中，这些方法涉及治疗神经痛和/或神经退行性疾病。在某些实施例中，这些化合物可以与第二治疗剂结合使用。
• Synthesis of New Styrylquinoline Cellular Dyes, Fluorescent Properties, Cellular Localization and Cytotoxic Behavior
  作者：Marzena Rams-Baron、Mateusz Dulski、Anna Mrozek-Wilczkiewicz、Mateusz Korzec、Wioleta Cieslik、Ewelina Spaczyńska、Piotr Bartczak、Alicja Ratuszna、Jaroslaw Polanski、Robert Musiol

  DOI：10.1371/journal.pone.0131210

  日期：——

  New styrylquinoline derivatives with their photophysical constants are described. The synthesis was achieved via Sonogashira coupling using the newly developed heterogeneous nano-Pd/Cu catalyst system, which provides an efficient synthesis of high purity products. The compounds were tested in preliminary fluorescent microscopy studies to in order to identify their preferable cellular localization, which appeared to be in the lipid cellular organelles. The spectroscopic properties of the compounds were measured and theoretical TD-DFT calculations were performed. A biological analysis of the quinolines that were tested consisted of cytotoxicity assays against normal human fibroblasts and colon adenocarcinoma cells. All of the compounds that were studied appeared to be safe and indifferent to cells in a high concentration range. The presented results suggest that the quinoline compounds that were investigated in this study may be valuable structures for development as fluorescent dyes that could have biological applications.

  介绍了新的苯乙烯基喹啉衍生物及其光物理常数。该合成是通过使用新开发的异质纳米钯/铜催化剂系统，通过 Sonogashira 偶联实现的，该系统可高效合成高纯度产品。这些化合物在初步的荧光显微镜研究中进行了测试，以确定它们在细胞中的理想定位，该定位似乎是在脂质细胞器中。对化合物的光谱特性进行了测量，并进行了 TD-DFT 理论计算。对测试的喹啉类化合物进行了生物分析，包括对正常人成纤维细胞和结肠腺癌细胞的细胞毒性试验。所研究的所有化合物在高浓度范围内似乎都是安全的，对细胞无影响。上述结果表明，本研究中研究的喹啉化合物可能是有价值的荧光染料结构，可开发成具有生物应用价值的荧光染料。
• Convergent Synthesis of 1,4-Dicarbonyl <i>Z</i>-Alkenes through Three-Component Coupling of Alkynes, α-Diazo Sulfonium Triflate, and Water
  作者：Xuyong Wang、Wen-Yan Tong、Bing Huang、Si Cao、Yunlong Li、Jingchao Jiao、Hang Huang、Qiu Yi、Shuanglin Qu、Xi Wang

  DOI：10.1021/jacs.1c12874

  日期：2022.3.23

  comprehensive mechanistic studies indicate that a free carbyne radical intermediate is formed via the photocatalytic single electron transfer process, and KH2PO4 plays a crucial role in significant improvements on yield and selectivity based on density-functional theory calculations, providing a new direction for radical coupling reactions of diazo compounds.

  我们报告了使用 α-重氮三氟甲磺酸锍和水聚合合成 1,4-二羰基Z-烯烃形成炔烃的一般方案。C=O、C=C 和 C-H 键是在温和条件下形成的，具有广泛的官能团耐受性。该反应表现出优异的Z选择性和完全的区域选择性。得到的 1,4-二羰基Z-烯烃可以顺利进行后续转化为各种杂芳族支架。此外，该反应还通过直接使用 D 2提供了一种容易获得相应的氘代Z烯烃和氘代杂芳烃的方法，这些氘代具有高水平的氘掺入（90-97% D-inc.）。O，从而使该方法具有很高的价值。综合机理研究表明，通过光催化单电子转移过程形成了游离的碳炔自由基中间体，基于密度泛函理论计算， KH 2 PO 4在显着提高产率和选择性方面发挥了关键作用，为光催化单电子转移过程提供了新的方向。重氮化合物的自由基偶联反应。
• 4-aryl- and 4-arylthio-5-hydroxy-2(5H)-furanones as inhibitors of
  申请人：Ortho Pharmaceutical Corporation

  公开号：US05464865A1

  公开（公告）日：1995-11-07

  The invention provides novel 5-hydroxy-4-aryl- and 5-hydroxy-4-(arylthio)-2(5H)-furanones of the following structure: ##STR1## wherein R contains from about five to about twenty carbon atoms and is defined herein; X is oxygen, sulfur, SO.sub.2, NH, N(lower alkyl), N(lower acyl), aminocarbonyl, carbonyl, carbonylamino, CH.sub.2 or a carbon-carbon bond; Y is hydrogen, halogen, lower alkyl, nitro, alkylthio, perfluoroalkyl, hydroxy, or lower alkoxy(C.sub.1 -C.sub.8); Z is sulfur or a carbon-carbon bond; and Q is H, an alkyl of from 1-20 carbon atoms, COR', COOR', CONHR', PO(OR')2, PO(OR')R" wherein R' and R" are independently selected from the group consisting of H, an alkyl of from 1-20 carbon atoms, phenyl, and substituted phenyl and prodrugs thereof and pharmaceutically acceptable salts thereof. Pharmaceutical compositions comprising these compounds, methods of using these compounds as inhibitors of inflammation and for treating other diseases characterized by the overproduction of arachidonic acid metabolites, intermediates and methods of preparing these compounds are also provided.

  该发明提供了以下结构的新型5-羟基-4-芳基和5-羟基-4-(芳硫基)-2(5H)-呋喃酮：##STR1## 其中R含有大约5至20个碳原子，并在此定义；X为氧、硫、SO.sub.2、NH、N（较低烷基）、N（较低酰基）、氨基甲酰基、羰基、羰基氨基、CH.sub.2或碳-碳键；Y为氢、卤素、较低烷基、硝基、烷基硫、全氟烷基、羟基或较低烷氧基（C.sub.1-C.sub.8）；Z为硫或碳-碳键；Q为H、1-20个碳原子的烷基、COR'、COOR'、CONHR'、PO（OR')2、PO(OR')R"，其中R'和R"分别选自H、1-20个碳原子的烷基、苯基和取代苯基及其前药和药学上可接受的盐。还提供了包含这些化合物的制药组合物，将这些化合物用作炎症抑制剂和治疗其他由花生四烯酸代谢物过度产生所表征的疾病的方法，以及制备这些化合物的中间体和方法。
• Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof
  申请人：Harris Christopher M.

  公开号：US20100216762A1

  公开（公告）日：2010-08-26

  Disclosed are compounds that are agonists or antagonists of the S1P 5 receptor, compositions comprising said compounds, and methods of using said compounds and compositions. In certain embodiments, said compounds are 1-benzylazetidine-3-carboxylic acid derivatives. In certain embodiments, said methods relate to the treatment of neuropatic pain and/or a neurodegenerative disorder. In certain embodiments, said compounds may be used in combination with a second therapeutic agent.

  本发明涉及一种作为S1P5受体激动剂或拮抗剂的化合物，包括该化合物的组合物以及使用该化合物和组合物的方法。在某些实施例中，该化合物是1-苄基氮杂环丙氨酸衍生物。在某些实施例中，该方法涉及神经病性疼痛和/或神经退行性疾病的治疗。在某些实施例中，该化合物可以与第二种治疗药物联合使用。