3-(dodecyloxy)benzaldehyde | 24083-18-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-(dodecyloxy)benzaldehyde
• 英文别名: Benzaldehyde, 3-(dodecyloxy)-；3-dodecoxybenzaldehyde
• CAS: 24083-18-9
• 化学式: C₁₉H₃₀O₂
• 分子量: 290.446
• InChiKey: OPAUXNAJLZOJBK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  21
• 可旋转键数：
  13
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(dodecyloxy)benzaldehyde 在 potassium carbonate 、 potassium hydroxide 作用下， 以 四氢呋喃 、 乙醇 、 水 、 丙酮 为溶剂， 反应 177.0h， 生成 ethyl 3-[(E)-3-(3-dodecoxyphenyl)prop-2-enoyl]-4-(2-ethoxy-2-oxoethoxy)benzoate
  参考文献：
  名称：

  Structure-based drug design using GPCR homology modeling: Toward the discovery of novel selective CysLT2 antagonists

  摘要：

  3D structure of CysLT2 receptor was constructed by using homology modeling and molecular simulations. The binding pocket of CysLT2 receptor and the proposition of the interaction mode between CysLT2 and HAMI3379 were identified. A series of dicarboxylated chalcones was then virtually evaluated through molecular docking studies. A total of six compounds 13a-f with preferable scores was further synthesized and tested for CysLT2 antagonistic activities by determination of the cytosolic free Ca2+ levels in HEK293 cells. Compounds 13e and 13f exhibited potent and selective CysLT2 antagonistic activities with IC50 values being 7.5 and 0.25 mu M, respectively. (C) 2013 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2013.01.041
• 作为产物：
  描述：

  溴代十二烷 、 间羟基苯甲醛 在 potassium carbonate 、 potassium iodide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以92%的产率得到3-(dodecyloxy)benzaldehyde
  参考文献：
  名称：

  吡咯烷的无金属CH官能化为基于吡咯鎓的室温离子液晶

  摘要：

  由于吡咯烷鎓阳离子具有更高的电化学稳定性，因此开发使用吡咯烷鎓阳离子的离子液晶（ILC）引起了人们的极大兴趣。然而，由于强的离子相互作用，与完全饱和的吡咯烷环中的低电荷分布相关的高电荷密度导致材料的高熔化温度。在此，已经报道了新型的吡咯基离子型液晶的结构-性质关系的合成和评价。吡咯烷的无金属直接C–H官能化，然后是N所得吡咯啉的β-烷基化产生了吡咯鎓部分，该吡咯鎓部分用作介晶的前所未有的极性头。发现具有部分不饱和吡咯烷环的这些离子型液晶元在包括室温在内的较宽的热范围内稳定许多中间相。

  DOI：

  10.1039/d1nj00647a

文献信息

• Compositions containing aromatic aldehydes and their use in treatments
  申请人：——

  公开号：US20030124157A1

  公开（公告）日：2003-07-03

  Disclosed are pharmaceutical and cosmetic compositions containing aromatic aldehyde compounds. Some of the disclosed compositions are useful as topical therapeutics for treating inflammatory dermatologic conditions. Some of the compositions are useful in transdermal and other systemic dose forms for treating other inflammatory conditions in mammals.

  揭示了含有芳香醛类化合物的药用和化妆品组合物。其中一些组合物可用作治疗炎症性皮肤病的局部治疗药物。其中一些组合物可用于治疗哺乳动物体内其他炎症性疾病的经皮和其他系统剂型。
• [EN] NOVEL USES<br/>[FR] NOUVELLES UTILISATIONS DE COMPOSES DE PORPHYRINE
  申请人：DESTINY PHARMA LTD

  公开号：WO2006000765A1

  公开（公告）日：2006-01-05

  The invention provides the use of a compound of Formula (I), or metallated derivative thereof, in the preparation of a medicament for killing or attenuating the growth of microorganisms by a method which does not comprise exposing the compound to a photodynamic therapy light source or a sonodynamic therapy ultrasound source Formula (I) wherein X1, X2, X3, X4, Y1, Y2, Y3, Y4 and Z have meanings given in the description. Preferably, the microorganisms are selected from the group consisting off bacteria, mycoplasmas, yeasts, fungi and viruses.

  该发明提供了使用化合物Formula（I）或其金属化衍生物在制备药物时用于杀灭或减轻微生物生长的方法，该方法不包括将该化合物暴露于光动力疗法光源或声动力疗法超声源中。Formula（I）中X1、X2、X3、X4、Y1、Y2、Y3、Y4和Z的含义如描述中所给。优选微生物选自细菌、支原体、酵母菌、真菌和病毒。
• Synthesis, characterization, and tunable semiconducting properties of aza-BODIPY derived polycyclic aromatic dyes
  作者：Wanle Sheng、Yu-Qing Zheng、Qinghua Wu、Kangkang Chen、Mao Li、Lijuan Jiao、Erhong Hao、Jie-Yu Wang、Jian Pei

  DOI：10.1007/s11426-020-9807-7

  日期：2020.9

  selective intense absorption in the near infrared spectrum (NIR) region with high photo- and thermo-stability. The periphery alkoxy and alkyl substituents greatly affect their molecular packing structures in thin films and their thin film transistor performances. With the simple changes of the alkyl substituents, the packing structures changed from discrete-grain with H-aggregation type absorption to lamellar

  已经合成了含有十三个稠合环的叠氮二吡咯亚甲基衍生的多环芳族络合物（HBP），这些化合物在近红外光谱（NIR）区域显示出高选择性，并具有高的光稳定性和热稳定性。外围的烷氧基和烷基取代基极大地影响了它们在薄膜中的分子堆积结构以及它们的薄膜晶体管性能。随着烷基取代基的简单变化，堆积结构从具有H聚集型吸收的离散颗粒变为具有J聚集型吸收的层状堆积，并且从p调节了半导体性能。溶液处理的有机场效应晶体管（OFET）的电子类型变为有趣的双极型，其空穴和电子迁移率分别达到0.42和0.17 cm 2 V -1 s -1。
• Substituted 4H-chromene and analogs as activators of caspases and inducers of apoptosis and the use thereof
  申请人：Drewe A. John

  公开号：US20050154015A1

  公开（公告）日：2005-07-14

  The present invention is directed to substituted 4H-chromene and analogs thereof, represented by the general Formula I: wherein A, B, X, Y, Z and R 5 are defined herein. The present invention also relates to the discovery that compounds having Formula I are activators of caspases and inducers of apoptosis. Therefore, the activators of caspases and inducers of apoptosis of this invention can be used to induce cell death in a variety of clinical conditions in which uncontrolled growth and spread of abnormal cells occurs.

  本发明涉及取代的4H-香豆素及其类似物，通式如下：其中A、B、X、Y、Z和R5在此定义。本发明还涉及发现具有通式I的化合物是caspase的激活剂和凋亡诱导剂。因此，本发明的caspase激活剂和凋亡诱导剂可以用于诱导各种临床情况下不受控制的异常细胞的生长和扩散导致的细胞死亡。
• Substituted4-aryl-3-(3-aryl-1-oxo-2-propenyl)-2(1h)-quinolinones and analogs as activators of caspases and inducers of apoptosis and the use thereof
  申请人：Cai Xiong Sui

  公开号：US20050165053A1

  公开（公告）日：2005-07-28

  The present invention is directed to substituted 4-Aryl-3-(3-aryl-1-oxo-2-propenyl)-2(1H)-quinolinones and analogs thereof, represented by the general Formula I: wherein Ar 1 , Ar 2 , R 1 -R 6 and R 12 are defined herein. The present invention also relates to the discovery that compounds having Formula I are activators of caspases and inducers of apoptosis. The compounds of this invention may be used to induce cell death in a variety of clinical conditions in which uncontrolled growth and spread of abnormal cells occurs.

  本发明涉及替代的4-芳基-3-(3-芳基-1-氧代-2-丙烯基)-2(1H)-喹啉酮及其类似物，由通式I所表示，其中Ar1，Ar2，R1-R6和R12在此被定义。本发明还涉及发现具有式I的化合物是caspase的激活剂和凋亡诱导剂。本发明的化合物可用于在许多临床情况下诱导细胞死亡，其中存在异常细胞的不受控制的生长和扩散。