4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1,3-dihydroimidazol-2-ylidene]cyclohexa-2,5-dien-1-one

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1,3-dihydroimidazol-2-ylidene]cyclohexa-2,5-dien-1-one
• 化学式: C₂₀H₁₄FN₃O
• 分子量: 331.3
• InChiKey: NJNKPVPFGLGHPA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  54
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• SINOMENINE DERIVATIVES, SYNTHETIC METHODS AND USES THEREOF
  申请人：Yao Zhujun

  公开号：US20120308589A1

  公开（公告）日：2012-12-06

  The invention relates to sinomenine derivatives, methods for their synthesis and their applications. The sinomenine derivatives include oxidation derivatives, and C-10 substituted sinomenine derivatives. Based on the readily oxidizable phenol group on sinomenine structure, using oxidation, oxidative dearomatization, or conjugated addition aromatization, one can introduce C-10 substitutions to synthesize the sinomenine derivatives. The sinomenine derivatives of the invention have the following structures: Using in vitro TNF-α inhibition assay, the activities of the synthetic compounds are assessed. Results from these assays shown that most compounds have anti-inflammatory effects, and some compounds have better activities than that of sinomenine. These compounds may be used in treating immune diseases such as rheumatoid arthritis (RA).

  该发明涉及青藤碱衍生物，其合成方法及应用。青藤碱衍生物包括氧化衍生物和C-10取代的青藤碱衍生物。基于青藤碱结构上易氧化的酚基团，可以利用氧化、氧化去芳香化或共轭加成芳香化来引入C-10取代基以合成青藤碱衍生物。该发明的青藤碱衍生物具有以下结构：通过体外TNF-α抑制实验，评估了合成化合物的活性。这些实验结果表明，大多数化合物具有抗炎作用，有些化合物的活性优于青藤碱。这些化合物可用于治疗类风湿性关节炎等免疫性疾病。
• METHOD FOR IDENTIFYING MODULATORS THAT MODULATE PHYSIOLOGICAL FUNCTIONS OF INTRACELLULAR COMPONENTS WITHIN A CELL
  申请人：Mediscov Inc.

  公开号：EP2535709A2

  公开（公告）日：2012-12-19

  A method for detecting a modulator that can regulate biological and/or physiological activity of a cellular component is provided. The method can detect a modulator, after determining whether there is a competitive reaction between a reference substance and a modulator toward the cellular component in a cell by imaging a magnetic pattern magnetized in a direction of a magnetic line of force and a pattern of a label bound to the cellular component. The method has a benefit that since the reaction of a cellular component with a reference substance and a modulator such as a drug occurs in a cell, the competition reaction between the reference substance and the modulator toward the cellular component can reflect the real metabolism occurred in a live cell. It can also allow the result of interaction between the cellular component and the modulator such as a drug to be visualized and to be identified directly in a live cell. Additionally, the method has advantages to screen many modulators using a few reference substances and to detect the functions of the modulator in a cell, e.g., its efficacy without modifying the modulator by introducing the reference substance.

  提供了一种检测可调节细胞成分的生物和/或生理活性的调节剂的方法。该方法通过对沿磁力线方向磁化的磁性图案和与细胞成分结合的标签图案成像，确定参考物质和调制剂之间是否对细胞中的细胞成分产生竞争反应，从而检测调制剂。该方法的优点是，由于细胞成分与参考物质和调制剂（如药物）的反应发生在细胞中，参考物质和调制剂对细胞成分的竞争反应可反映活细胞中发生的真实新陈代谢。它还能使细胞成分与药物等调节剂之间的相互作用结果可视化，并能在活细胞中直接识别。此外，该方法的优点还在于只需使用少量参考物质就能筛选出多种调节剂，并能检测调节剂在细胞中的功能，如药效，而无需通过引入参考物质来改变调节剂。
• COMPOSITION COMPRISING A SPECIFIC P38A INHIBITOR AND AN AGENT THAT INDUCES CHROMOSOME INSTABILITY AND MEDICAL USES THEREOF
  申请人：Fundació Institut de Recerca Biomèdica (IRB Barcelona)

  公开号：EP3415164A1

  公开（公告）日：2018-12-19

  The present invention relates to compositions comprising a specific p38α inhibitor and an agent that induces chromosome instability, wherein preferably the specific p38α inhibitor has a half maximal inhibitory concentration (IC50) equal to or less than 40 nM. The invention also relates to the above compositions or to a specific p38α inhibitor for use in the treatment of breast cancer, wherein the breast cancer is characterised by a high degree of chromosome instability. Finally, the invention relates to a method for identifying a breast cancer patient who responds to a treatment with the above compositions or with a specific p38α inhibitor, wherein the breast cancer is characterised by a high degree of chromosome instability, and a method for selecting a treatment for a breast cancer patient.

  本发明涉及包含特异性 p38α 抑制剂和诱导染色体不稳定性的制剂的组合物，其中优选特异性 p38α 抑制剂的半最大抑制浓度（IC50）等于或小于 40 nM。本发明还涉及上述组合物或用于治疗乳腺癌的特异性 p38α 抑制剂，其中乳腺癌的特征是染色体高度不稳定。最后，本发明涉及一种确定对上述组合物或特定 p38α 抑制剂治疗有反应的乳腺癌患者的方法（其中乳腺癌的特征是染色体高度不稳定），以及一种为乳腺癌患者选择治疗方法的方法。
• Methods for making pancreatic endocrine cells
  申请人：Janssen Biotech, Inc.

  公开号：US10421948B2

  公开（公告）日：2019-09-24

  The present invention provides a method for increasing the expression of MAFA in cells expressing markers characteristic of the pancreatic endocrine lineage comprising the steps of culturing the cells expressing markers characteristic of the pancreatic endocrine lineage in medium comprising a sufficient amount of a cyclin-dependent kinase inhibitor to cause an increase in expression of MAFA.

  本发明提供了一种提高表达胰腺内分泌系特征标记的细胞中 MAFA 表达量的方法，该方法包括以下步骤：在含有足量细胞周期蛋白依赖性激酶抑制剂的培养基中培养表达胰腺内分泌系特征标记的细胞，以引起 MAFA 表达量的增加。
• Treatment of cancer and inhibition of metastasis using hemoglobin beta subunit
  申请人：UNIVERSITY OF MARYLAND, BALTIMORE

  公开号：US10561712B2

  公开（公告）日：2020-02-18

  The beta 2 subunit of mouse hemoglobin (HBB2) has been identified as soluble factor from mouse lungs that exhibits cytostatic/cytotoxic activity against neuroblastoma lung micrometastases. The beta subunit of human hemoglobin (HBB) has been found to have similar activity. Methods of using these proteins and fragments thereof in the treatment of cancer and inhibition of metastasis are provided, along with methods of screening a subject for micrometastases by detecting HBB in a biological sample.

  小鼠血红蛋白的 beta 2 亚基（HBB2）已被确定为小鼠肺部的可溶性因子，对神经母细胞瘤肺部微转移灶具有细胞抑制/细胞毒性活性。人类血红蛋白（HBB）的β亚基也具有类似的活性。本文提供了使用这些蛋白质及其片段治疗癌症和抑制转移的方法，以及通过检测生物样本中的 HBB 来筛查微转移灶的方法。