2-[3-氰基-5-(3,4-二氯苯基)-4,5-二甲基-2(5H)-呋喃基]丙烷衍生物 | 383124-82-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 中文名称: 2-[3-氰基-5-(3,4-二氯苯基)-4,5-二甲基-2(5H)-呋喃基]丙烷衍生物
• 英文名称: 3-cyano-2-(dicyanomethylene)-4,5-dimethyl-5-(3,4-dichlorophenyl)-2,5-dihydrofuran
• 英文别名: YE120；2-(3-cyano-5-(3,4-dichlorophenyl)-4,5-dimethylfuran-2(5H)-ylidene)malononitrile；2-dicyanomethylene-3-cyano-4,5-dimethyl-5-[3',4'-dichlorophenyl]-2,5-dihydrofuran；2-[3-cyano-5-(3,4-dichlorophenyl)-4,5-dimethylfuran-2-ylidene]propanedinitrile
• CAS: 383124-82-1
• 化学式: C₁₆H₉Cl₂N₃O
• 分子量: 330.173
• InChiKey: RSWZFAPYKOARNG-UHFFFAOYSA-N

物化性质

• 沸点：
  419.1±45.0 °C(Predicted)
• 密度：
  1.42±0.1 g/cm3(Predicted)
• 溶解度：
  在 DMSO 中溶解度为 100 mM

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  80.6
• 氢给体数：
  0
• 氢受体数：
  4

制备方法与用途

用途 

YE-120 is a GPR35 agonist (EC50 = 32 nM in DMR assays). YE-120 also displays partial agonist activity in a β-arrestin translocation assay (EC50 = 10.2 μM). GPR35 is a Class A, rhodopsin-like G protei n-coupled receptor which is predominantly expressed in immune and gastrointestinal tissue, with notable expression in the ileum (rat and human GPR35), the spleen (rat and murine GPR35) and the pancrea s (human GPR35).

反应信息

• 作为反应物：
  描述：

  2-[3-氰基-5-(3,4-二氯苯基)-4,5-二甲基-2(5H)-呋喃基]丙烷衍生物 、 (E)-3-(7-((E)-(diethylamino)styryl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)acrylaldehyde 在 哌啶 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 以1.44 g的产率得到3-cyano-2-(dicyanomethylene)-4-((1E,3E)-4-(7-((E)-4-(diethylamino)styryl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)buta-1,3-dienyl)-5-methyl-5-(3,4-dichlorophenyl)-2,5-dihydrofuran
  参考文献：
  名称：

  Nonlinear optical chromophores, nonlinear optical materials containing the same, and uses thereof in optical devices

  摘要：

  Nonlinear optical chromophores having thiophene-containing bridging groups between the electron-donating and electron-accepting ends of the chromophore are disclosed, including bridging groups which contain cyclic moieties in combination with conjugated double bonds between the electron-donating and electron-accepting ends of the chromophore.

  公开号：

  US11661428B1
• 作为产物：
  描述：

  3-(3,4-dichlorophenyl)-3-hydroxybutan-2-one 、 丙二腈 在 乙醇 、 乙醇锂 作用下， 以 四氢呋喃 为溶剂， 以25.9%.的产率得到2-[3-氰基-5-(3,4-二氯苯基)-4,5-二甲基-2(5H)-呋喃基]丙烷衍生物
  参考文献：
  名称：

  COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL CONDITION(S) RELATED TO GPR35 AND/OR GPR35-HERG COMPLEX

  摘要：

  揭示了与GPR35及/或GPR35-hERG信号复合物在病理生理上相关的疾病的预防和/或治疗的组合物和方法。例如，揭示了用于预防和/或治疗与GPR35在受试者中病理生理相关的疾病的化合物。这些化合物具有以下公式(I)、(II)或(III)：

  公开号：

  US20120022116A1

文献信息

• ELECTRO-OPTIC POLYMER
  申请人：NATIONAL INSTITUTE OF INFORMATION AND COMMUNICATIONS TECHNOLOGY

  公开号：US20210032228A1

  公开（公告）日：2021-02-04

  The present invention provides an electro-optic polymer (EO polymer) comprising an electro-optic molecule (EO molecule) and a base polymer. The EO polymer of the present invention has good performance over the entire optical communication wavelength range and therefore can preferably be used for the production of optical modulators, optical switches, optical transceivers, optical phased arrays, LiDAR (light detection and ranging) devices, electric field sensors, terahertz wave generators and detectors, etc.

  本发明提供了一种电光聚合物（EO聚合物），包括电光分子（EO分子）和基础聚合物。本发明的EO聚合物在整个光通信波长范围内具有良好的性能，因此可以优选用于光调制器、光开关、光收发器、光子阵列、激光雷达（LiDAR）、电场传感器、太赫兹波发生器和探测器等的生产。
• Novel chromophores for polymeric thin films and optical waveguides and devices comprising the same
  申请人：CORNING INC.

  公开号：EP1772458A2

  公开（公告）日：2007-04-11

  The invention is directed to chromophores having novel electron withdrawing groups and novel bivalent cyclic bridges and to optical waveguides and optical devices having polymeric thin films which contain the novel chromophores.

  本发明涉及具有新型退电子基团和新型二价环桥的发色团，以及具有包含新型发色团的聚合物薄膜的光波导和光学设备。
• Mercaptofunctional high uB EO chromophores and high tg, low optical loss, covalently bonded, high uB EO chromophore containing polymers and methods of synthesizing EO materials
  申请人：Corning Incorporated

  公开号：EP2450355A1

  公开（公告）日：2012-05-09

  The present invention relates generally to mercaptofunctional high µβ EO chromophores and EO polymers, and particularly to mercaptofunctional high µβ EO chromophores and EO polymers useful for making electro-optical devices and systems. Mercaptofunctional high µβ EO chromophores are covalently bonded to poly(imido sulfide) polymers producing high Tg, low optical loss, covalently bonded, high µβ EO chromophore containing polymers. Methods of synthesizing these EO materials using mild polymerization conditions are also described.

  本发明一般涉及巯基官能团高µβ环氧乙烷发色团和环氧乙烷聚合物，特别是用于制造电光器件和系统的巯基官能团高µβ环氧乙烷发色团和环氧乙烷聚合物。巯基官能团高µβ环氧乙烷发色团与聚（亚氨基硫醚）聚合物共价键合，产生高Tg、低光学损耗、共价键合的高µβ环氧乙烷发色团聚合物。此外，还介绍了使用温和聚合条件合成这些环氧乙烷材料的方法。
• Methods of treating Crohn's disease or ulcerative colitis by administering inhibitors of tumor necrosis factor-like cytokine 1A (TL1A)
  申请人：PROMETHEUS BIOSCIENCES, INC.

  公开号：US11136386B2

  公开（公告）日：2021-10-05

  Provided are methods, systems, and kits for selecting a patient for treatment with a therapeutic agent based on a presence of a genotype associated with a positive therapeutic response to the therapeutic agent. The therapeutic agent, in some embodiments, is an inhibitor of TL1A activity or expression, such as for example, an anti-TL1A antibody.

  本文提供的方法、系统和试剂盒用于根据是否存在与对治疗剂的阳性治疗反应相关的基因型，选择患者接受治疗剂的治疗。在某些实施方案中，治疗剂是 TL1A 活性或表达的抑制剂，例如抗 TL1A 抗体。
• NOVEL CHROMOPHORES FOR POLYMERIC THIN FILMS AND OPTICAL WAVEGUIDES AND DEVICES COMPRISING THE SAME
  申请人：CORNING INCORPORATED

  公开号：EP1290000A1

  公开（公告）日：2003-03-12