2-(4-methoxyphenyl)-5-ethylthiophene

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-(4-methoxyphenyl)-5-ethylthiophene
• 英文别名: 2-ethyl-5-(4-methoxylphenyl)thiophene；2-Ethyl-5-(4-methoxyphenyl)thiophene
• 化学式: C₁₃H₁₄OS
• 分子量: 218.32
• InChiKey: MPDLFLWMZGCIQC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  37.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(4-methoxyphenyl)-5-ethylthiophene 在 三溴化硼 作用下， 生成 4-(5-Ethylthiophen-2-yl)phenol
  参考文献：
  名称：

  Nematic 2,5-disubstituted thiophenesElectronic supplementary information (ESI) available: extensive synthetic information. See http://www.rsc.org/suppdata/jm/b2/b202073b/

  摘要：

  制备了大量含有2,5-二取代噻吩环的新型液晶，并研究了它们的介晶行为，以系统地探讨不同形状、极化能力和极性的噻吩衍生物的分子结构与介晶性之间的关联。通过这些研究，我们合成了一类新型液晶，它们含有2,5-二取代噻吩环和末端链中的共轭反式碳-碳双键。这些新颖的噻吩衍生物是首批在室温下表现出向列相的含有2,5-二取代噻吩环的液晶。这使得弯曲形状分子的挠曲电系数能够首次在作者所知的情况下直接在室温下测量。许多这些新型噻吩具有高双折射率和高向列相清亮点，有可能作为液晶显示器中向列相混合物的成分。

  DOI：

  10.1039/b202073b
• 作为产物：
  描述：

  2-乙基噻吩 、 4-碘苯甲醚 在 PdBr₂(bipy)*DMSO 、 silver carbonate 作用下， 以 1,4-二氧六环 为溶剂， 反应 13.0h， 以77%的产率得到2-(4-methoxyphenyl)-5-ethylthiophene
  参考文献：
  名称：

  钯/ 2,2'-联吡啶/ Ag 2 CO 3催化剂，用于杂芳烃与卤代芳烃的CH键芳构化

  摘要：

  描述了一种基于Pd / Bipy的催化体系，用于杂芳烃与卤代芳烃的CH键芳基化。复杂的PdBr 2（bipy）·DMSO，其结构通过X射线晶体学明确确定，事实证明是该方法的一般催化剂前体。该反应适用于一系列富电子的五元杂芳烃，例如噻吩，噻唑，苯并呋喃和吲哚。

  DOI：

  10.1016/j.tet.2011.03.093

文献信息

• Palladium salt and functional reduced graphene oxide complex: in situ preparation of a generally applicable catalyst for C–C coupling reactions
  作者：Sheng Wang、Donghua Hu、Wenwen Hua、Jiangjiang Gu、Qiuhong Zhang、Xudong Jia、Kai Xi

  DOI：10.1039/c5ra10585d

  日期：——

  A novel Pd catalyst was designed by affording Pd2+ salt on the surface of functional reduced graphene oxide (FRGO), providing a new cheap and stable in situ prepared palladium catalyst for C–C coupling reactions, including the Heck reaction, Suzuki reaction, C–H bond functionalization reactions of thiophenes, and terminal alkyne C–H activation and homocoupling.

  一种新颖的钯催化剂是通过得到的Pd设计2+官能还原的石墨烯氧化物（FRGO）的表面上的盐，提供了一个新的廉价和稳定在原位对C-C偶联反应，包括Heck反应制备的钯催化剂，Suzuki反应，噻吩的C–H键官能化反应以及末端炔烃C–H活化和均偶联。
• MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KAPPABETA ACTIVITY AND USE THEREOF
  申请人：Yang Bingwei Vera

  公开号：US20100004219A1

  公开（公告）日：2010-01-07

  Novel non-steroidal compounds are provided which are useful in treating diseases associated with modulation of the glucocorticoid receptor, AP-1, and/or NF-κB activity, including metabolic and inflammatory or immune associated diseases or disorders having the structure of formula I or an enantiomer, diastereomer, tautomer, or a pharmaceutically-acceptable salt, thereof, wherein: A is a 5-, 6-, or 7-membered heterocyclo or heteroaryl, each containing 1, 2, or 3 heteroatoms selected from N, O, and S and substituted with one to four groups, R 1 , R 2 , R 3 , and/or R 4 , provided that (i) A is not tetrazole or (ii) if A is thienyl or furanyl then Z is selected from a group other than succinimido or thalimido; M is selected from alkyl, cycloalkyl, aryl, heterocyclo, and heteroaryl; Ma is a linker between C and M and is selected from a bond and C 1 -C 3 alkylene; Q is selected from (i) hydrogen, halogen, nitro, cyano, hydroxy, C 1 -4alkyl, and substituted C 1 -4 alkyl; or (ii) Q is combined with R6 and with the carbon atoms to which they are attached to form a 3- to 6-membered cycloalkyl; or (iii) Q and M are combined with the carbon atom(s) to which they are attached to form a 3- to 7-membered ring containing 1-2 heteroatoms which are independently selected from the group consisting of O, S, SO 2 , and N which ring may be optionally substituted with 0-2 R 5 groups or carbonyl; and Z is selected from alkyl, CF 3 , OH, cycloalkyl, heterocyclo, aryl, heteroaryl, —C(═O)NR 8 R 9 , —C(═O)R 8 , —C(NCN)NR 8 R 9 , —C(═O)OR 8 , —SO 2 R 8 , and —SO2NR8R9. M a , Z a , R 1 , R 2 , R 3 , R5 a , R 6 , R 7 , R 8 , R 9 and R 22 are as defined herein. Also provided are pharmaceutical compositions, combinations and methods of treating metabolic and inflammatory or immune associated diseases or disorders using said compounds.

  本发明提供了一些新型非甾体化合物，其可用于治疗与糖皮质激素受体、AP-1和/或NF-κB活性调节相关的疾病，包括代谢和炎症或免疫相关疾病或障碍。该化合物具有公式I或其对映异构体、顺反异构体、互变异构体或药学上可接受的盐，其中：A是5、6或7元杂环或杂环芳基，每个都含有1、2或3个从N、O和S中选择的杂原子，并取代有1至4个基团R1、R2、R3和/或R4，但（i）A不是四氮唑或（ii）如果A是噻吩基或呋喃基，则Z是选择自除琥珀酰亚胺或萘酰亚胺之外的一组；M选择自烷基、环烷基、芳基、杂环烷和杂环芳基；Ma是C和M之间的连接器，选择自键和C1-C3烷基；Q选择自（i）氢、卤素、硝基、氰基、羟基、C1-4烷基和取代的C1-4烷基；或（ii）Q与R6以及它们附着的碳原子结合形成3-至6元环烷基；或（iii）Q和M与它们附着的碳原子结合形成3-至7元环，其中包含1-2个杂原子，这些杂原子独立地选择自O、S、SO2和N的群，该环可以选择性地取代0-2个R5基团或羰基；Z选择自烷基、CF3、OH、环烷基、杂环烷基、芳基、杂环芳基、-C（=O）NR8R9、-C（=O）R8、-C（NCN）NR8R9、-C（=O）OR8、-SO2R8和-SO2NR8R9。Ma、Za、R1、R2、R3、R5a、R6、R7、R8、R9和R22的定义如本文所述。还提供了使用所述化合物的制药组合物和治疗代谢和炎症或免疫相关疾病或障碍的方法。
• Combination therapy of transcription inhibitors and kinase inhibitors
  申请人：Dana-Farber Cancer Institute, Inc.

  公开号：US10702527B2

  公开（公告）日：2020-07-07

  The present disclosure provides combination therapy of a transcription inhibitor and a kinase inhibitor. The combination of the transcription inhibitor and the kinase inhibitor may be useful in treating and/or preventing in a subject a proliferative disease, such as proliferative a disease that is resistant to the transcription inhibitor alone or the kinase inhibitor alone. In certain embodiments, the proliferative disease is a cancer. The combination of the transcription inhibitor and the kinase inhibitor is expected to be synergistic.

  本公开提供了转录抑制剂和激酶抑制剂的组合疗法。转录抑制剂和激酶抑制剂的组合可用于治疗和/或预防受试者的增殖性疾病，如对单独转录抑制剂或单独激酶抑制剂耐药的增殖性疾病。在某些实施方案中，增殖性疾病是癌症。转录抑制剂和激酶抑制剂的组合可望产生协同作用。
• Nematic Thiophenes for STN-LCDS and Flexoelectric LCDS
  作者：Kevin Bartle、Neil Campbell、Warren L. Duffy、Stephen M. Kelly、Vicki Minter、Mary O'Neill、Rachel P. Tuffin

  DOI：10.1080/10587250108025061

  日期：2001.8

  We report anew class of liquid crystals incorporating a 2,5-disubstituted thiophene ring and one or two conjugated trans-carbon-carbon double bonds in the terminal chain for use as components of nematic mixtures for TN-LCDs and STN-LCDs. The combination of these molecular elements contribute towards generating a high birefringence, a high nematic clearing point as well as a low viscosity for these materials. Several of these compounds exhibit a melting point below room temperature. This is the first time a room temperature nematic phase has been reported for phenyl thiophene derivatives. The new thiophene compounds can be used to induce a high birefringence in nematic mixtures for LCDs with short response times.
• GLYCOSYLATED GLYCOPEPTIDE ANTIBIOTIC DERIVATIVES
  申请人：Matsui Kouhei

  公开号：US20100286364A1

  公开（公告）日：2010-11-11

  The present invention provides novel glycopeptides antibiotic derivatives. These glycopeptide antibiotic derivatives are characterized in that a sugar residue (I) represented by the formula: (wherein n is an integer of 1 to 5; Sugs are each independently a monosaccharide, (Sug) n is a divalent sugar residue formed by binding of same or different 1 to 5 monosaccharides; R A1 is optionally substituted lower alkyl, optionally substituted lower alkenyl, or optionally substituted cycloalkyl; and R E is OH or NHAc (Ac is acetyl)) is bound to an aromatic ring of the fourth amino acid residue in the glycopeptide skeleton. These derivatives have antibacterial activity against vancomycin-resistant bacteria.