4-[4-(2-丁氧基乙氧基)-5-甲基-1,3-噻唑-2-基]-2-氟苯甲酸 | 870773-76-5

• 物质功能分类: 生物化工 - 抑制剂
• 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-[4-(2-丁氧基乙氧基)-5-甲基-1,3-噻唑-2-基]-2-氟苯甲酸
• 中文别名: 4-[4-(2-丁氧基乙氧基-)-5-甲基-2-噻唑基]-2-氟苯甲酸
• 英文名称: AC-261066
• 英文别名: 4 [4-(2-butoxyethoxy)-5-methyl-2-thiazolyl]-2-fluorobenzoic acid；Benzoic acid, 4-(4-(2-butoxyethoxy)-5-methyl-2-thiazolyl)-2-fluoro-；4-[4-(2-butoxyethoxy)-5-methyl-1,3-thiazol-2-yl]-2-fluorobenzoic acid
• CAS: 870773-76-5
• 化学式: C₁₇H₂₀FNO₄S
• 分子量: 353.415
• InChiKey: HSAOETBFVAWNRP-UHFFFAOYSA-N

物化性质

• 沸点：
  506.5±60.0 °C(Predicted)
• 密度：
  1.247±0.06 g/cm3(Predicted)
• 溶解度：
  <35.34mg/ml，溶于DMSO； <35.34mg/ml，乙醇中

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  24
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  96.9
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2-氟-4-(4-羟基-5-甲基-1,3-噻唑-2-基)苯甲酸乙酯 在 lithium hydroxide 、 caesium carbonate 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 0.5h， 生成 4-[4-(2-丁氧基乙氧基)-5-甲基-1,3-噻唑-2-基]-2-氟苯甲酸
  参考文献：
  名称：

  Discovery of a Potent, Orally Available, and Isoform-Selective Retinoic Acid β2 Receptor Agonist

  摘要：

  4'-Octyl-4-biphenylcarboxylic acid (1g, AC-55649) was identified as a highly isoform-selective agonist at the human RAR beta 2 receptor in a functional intact cell-based screening assay. The subsequent hit to lead optimization transformed the lipophilic, poorly soluble hit into a more potent and orally available compound (2, AC-261066) with retained beta 2 selectivity and greatly improved physiochemical properties. Being an isoform-selective RAR beta 2 receptor agonist that discriminates between nuclear receptor isoforms having identical ligand binding domains, 2 will be useful as a pharmacological research tool but also a valuable starting point for drug development.

  DOI：

  10.1021/jm050891r

文献信息

• COMPOUNDS WITH ACTIVITY AT RETINOIC ACID RECEPTORS
  申请人：Olsson Roger

  公开号：US20090176837A1

  公开（公告）日：2009-07-09

  Disclosed herein are novel compounds with activity at RARβ 2 receptors. Further disclosed are the use of such compounds for treatment of or to alleviate symptoms of cancer, neurological disorders such as memory deficits and schizophrenia, neurodegenerative disorders such as Parkinson's and Alzheimer's diseases, inflammatory disorders such as psoriasis and rheumatoid arthritis, eye disorders and depression.

  本文揭示了具有对RARβ 2受体活性的新化合物。进一步揭示了这些化合物的用途，用于治疗或缓解癌症、神经系统疾病（如记忆障碍和精神分裂症）、神经退行性疾病（如帕金森病和阿尔茨海默病）、炎症性疾病（如银屑病和类风湿性关节炎）、眼部疾病和抑郁症状。
• MEDIUM FOR CULTURING STEM CELLS, METHOD FOR CULTURING STEM CELLS, STEM CELL GROWTH PROMOTER, AND CELL COMPOSITION AND METHOD FOR PRODUCING SAME
  申请人：Kyowa Hakko Bio Co., Ltd.

  公开号：EP3511410A1

  公开（公告）日：2019-07-17

  An object of the present invention is to provide a technique for stably, inexpensively, and safely culturing stem cells having a differentiation ability while maintaining an undifferentiated state. The present invention relates to a medium for culturing stem cells, comprising at least one or more compounds selected from the group consisting of a ROCK inhibitor, a PKC inhibitor, a histone methyltransferase inhibitor, and a retinoic acid receptor agonist, and not containing a growth factor or having a low growth factor concentration; a method for culturing stem cells using the medium; a growth promoter for stem cell; as well as a cell composition containing stem cells or differentiated cells therefrom; and a method for producing the cell composition.

  本发明的目的是提供一种技术，稳定、廉价、安全地培养具有分化能力的干细胞，同时保持未分化状态。本发明涉及一种培养干细胞的培养基，该培养基包含至少一种或多种选自 ROCK 抑制剂、PKC 抑制剂、组蛋白甲基转移酶抑制剂和维甲酸受体激动剂的化合物，且不含生长因子或生长因子浓度较低；一种使用该培养基培养干细胞的方法；一种干细胞生长促进剂；以及一种含有干细胞或从中分化的细胞的细胞组合物；以及一种生产该细胞组合物的方法。
• CANCER SPHEROID PRODUCTION METHOD AND METHOD FOR SELECTING COLON CANCER PATIENTS
  申请人：Kyo Diagnostics K.K.

  公开号：EP3722417A1

  公开（公告）日：2020-10-14

  The disclosure includes a method of preparing a cancer spheroid, a method of selecting a colorectal cancer patient being sensitive to an FGFR inhibitor, and a pharmaceutical composition for treating colorectal cancer comprising an FGFR inhibitor.

  本公开包括一种制备癌球的方法、一种选择对表皮生长因子受体抑制剂敏感的结直肠癌患者的方法，以及一种包含表皮生长因子受体抑制剂的治疗结直肠癌的药物组合物。
• Methods of treating diseases associated with high-fat diet and vitamin A deficiency using retinoic acid receptor agonists
  申请人：Cornell University

  公开号：US10010512B2

  公开（公告）日：2018-07-03

  This invention relates to pharmaceutical composition and methods of using vitamin A and/or RARβ agonist for the treatment or prevention of diseases or conditions associated with high fat diet and/or vitamin deficiency.

  本发明涉及使用维生素 A 和/或 RARβ 激动剂治疗或预防与高脂肪饮食和/或维生素缺乏有关的疾病或病症的药物组合物和方法。
• Combination therapy for head and neck cancer
  申请人：Cornell University

  公开号：US10265378B2

  公开（公告）日：2019-04-23

  This invention relates to pharmaceutical composition and methods of using RXR agonist and/or RAR agonist for the treatment or prevention of head and neck cancer.

  本发明涉及使用 RXR 激动剂和/或 RAR 激动剂治疗或预防头颈癌的药物组合物和方法。