5-乙炔基吡啶-2-醇 | 1196156-05-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 5-乙炔基吡啶-2-醇
• 英文名称: 5-ethynylpyridin-2(1H)-one
• 英文别名: 5-Ethynylpyridin-2-ol；5-ethynyl-1H-pyridin-2-one
• CAS: 1196156-05-4
• 化学式: C₇H₅NO
• 分子量: 119.123
• InChiKey: LTZKNJCKOOCPBG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335

反应信息

• 作为反应物：
  描述：

  5-乙炔基吡啶-2-醇 在 copper(II) sulfate 、 sodium ascorbate 、 三氟乙酸 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 、 正丁醇 为溶剂， 反应 18.0h， 生成 5-(1-(trans-4-(4-(trifluoromethyl)benzyloxy)pyrrolidin-3-yl)-1H-1,2,3-triazol-4-yl)pyridin-2(1H)-one
  参考文献：
  名称：

  [EN] TRANSCRIPTIONAL ENHANCED ASSOCIATED DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF
  [FR] INHIBITEURS DU FACTEUR DE TRANSCRIPTION À DOMAINE ASSOCIÉ TRANSCRIPTIONNEL AMÉLIORÉ (TEAD) ET LEURS UTILISATIONS

  摘要：

  Provided herein are compounds of Formula (I'), Formula (II), Formula (III), Formula (IV), Formula (V), Formula (VI), Formula (VII), or Formula (VIII) and pharmaceutically acceptable salts, solvates, hydrates, polymorphs, co-crystals, tautomers, stereoisomers, isotopically labeled derivatives, or prodrugs thereof. Also provided are methods and kits involving the inventive compounds or compositions for treating and/or preventing diseases (e.g., proliferative diseases (e.g., cancers, such as carcinoma, sarcoma, lung cancer, thyroid cancer, skin cancer, ovarian cancer, colorectal cancer, prostate cancer, pancreatic cancer, esophageal cancer, liver cancer, breast cancer)) in a subject. Provided are methods of inhibiting a TEAD transcription factors (e.g., TEAD1, TEAD2, TEAD3, TEAD4) in a subject.

  公开号：

  WO2022232088A1
• 作为产物：
  描述：

  2-羟基-5-碘吡啶 在 甲醇 、 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 三乙胺 、 potassium hydroxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 5-乙炔基吡啶-2-醇
  参考文献：
  名称：

  [EN] TRANSCRIPTIONAL ENHANCED ASSOCIATED DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF
  [FR] INHIBITEURS DU FACTEUR DE TRANSCRIPTION À DOMAINE ASSOCIÉ TRANSCRIPTIONNEL AMÉLIORÉ (TEAD) ET LEURS UTILISATIONS

  摘要：

  Provided herein are compounds of Formula (I'), Formula (II), Formula (III), Formula (IV), Formula (V), Formula (VI), Formula (VII), or Formula (VIII) and pharmaceutically acceptable salts, solvates, hydrates, polymorphs, co-crystals, tautomers, stereoisomers, isotopically labeled derivatives, or prodrugs thereof. Also provided are methods and kits involving the inventive compounds or compositions for treating and/or preventing diseases (e.g., proliferative diseases (e.g., cancers, such as carcinoma, sarcoma, lung cancer, thyroid cancer, skin cancer, ovarian cancer, colorectal cancer, prostate cancer, pancreatic cancer, esophageal cancer, liver cancer, breast cancer)) in a subject. Provided are methods of inhibiting a TEAD transcription factors (e.g., TEAD1, TEAD2, TEAD3, TEAD4) in a subject.

  公开号：

  WO2022232088A1

文献信息

• [EN] PYRIDINONE- AND PYRIDAZINONE-BASED COMPOUNDS AND MEDICAL USES THEREOF<br/>[FR] COMPOSÉS À BASE DE PYRIDINONE ET DE PYRIDAZINONE ET UTILISATIONS MÉDICALES ASSOCIÉES
  申请人：HLA TIMOTHY

  公开号：WO2019173790A1

  公开（公告）日：2019-09-12

  The various examples presented herein are directed to compounds of the formula A-L1-Het1-L2-Cy1 or a pharmaceutical acceptable salt, polymorph, prodrug, solvate or clathrate thereof, wherein: A is cycloalkyl, aryl, arylalkyl or heterocyclyl; Het1 is heterocyclyl containing at least two heteroatoms; Cy1 is a heterocyclyl; L1 is a bond, alkyl, alkenyl or alkynyl linker; L2 is an acyl or alkyl linker; and A and Cy1 are different. The compounds are useful in the treatment of fibrotic diseases, abnormal vascular leak and pathological angiogenesis.

  本文提供的各种示例涉及到以下公式的化合物A-L1-Het1-L2-Cy1或其药用可接受的盐、多型体、前药、溶剂合物或包合物，其中：A为环烷基、芳基、芳基烷基或杂环烷基；Het1为含有至少两个杂原子的杂环烷基；Cy1为杂环烷基；L1为键、烷基、烯基或炔基连接物；L2为酰基或烷基连接物；A和Cy1不同。这些化合物在治疗纤维化疾病、异常血管渗漏和病理性血管生成方面具有用途。
• Discovery of the First Highly Selective Antagonist of the GluK3 Kainate Receptor Subtype
  作者：Paulina Chałupnik、Alina Vialko、Darryl S. Pickering、Markus Hinkkanen、Stephanie Donbosco、Thor C. Møller、Anders A. Jensen、Birgitte Nielsen、Yasmin Bay、Anders S. Kristensen、Tommy N. Johansen、Kamil Łątka、Marek Bajda、Ewa Szymańska

  DOI：10.3390/ijms23158797

  日期：——

  kainate receptor subtype, a series of quinoxaline-2,3-dione analogues was synthesized and pharmacologically characterized at selected recombinant ionotropic glutamate receptors. Among them, compound 28 was found to be a competitive GluK3 antagonist with submicromolar affinity and unprecedented high binding selectivity, showing a 400-fold preference for GluK3 over other homomeric receptors GluK1, GluK2, GluK5

  红藻氨酸受体属于谷氨酸受体离子通道家族，负责中枢神经系统中大部分快速兴奋性突触传递。红藻氨酸受体的治疗潜力仍然知之甚少，这也是由于缺乏有效的亚基选择性药理学工具。为了寻找 GluK3 红藻氨酸受体亚型的选择性配体，合成了一系列喹喔啉-2,3-二酮类似物，并在选定的重组离子型谷氨酸受体上进行了药理学表征。其中，化合物28被发现是一种竞争性GluK3拮抗剂，具有亚微摩尔亲和力和前所未有的高结合选择性，对GluK3的偏好比其他同聚受体GluK1、GluK2、GluK5和GluA2高出400倍。此外，在对选定的代谢型谷氨酸受体亚型进行的功能测定中， 28 个亚型没有表现出激动剂或拮抗剂活性。使用分子对接和分子动力学模拟对单个 GluK1 和 GluK3 配体结合域进行分析，分析了观察到的28 种亲和力特征背后的分子决定因素。
• BICYCLIC COMPOUND
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP2351743A1

  公开（公告）日：2011-08-03

  The present invention provides a compound having an ACC inhibitory action, which is useful as an agent for the prophylaxis or treatment of obesity, diabetes, hypertension, hyperlipidemia, cardiac failure, diabetic complications, metabolic syndrome, sarcopenia, cancer and the like, and has superior efficacy. The present invention relates to a compound represented by the formula (I): wherein each symbol is as defined in the specification, or a salt thereof.

  本发明提供了一种具有 ACC 抑制作用的化合物，该化合物可作为预防或治疗肥胖、糖尿病、高血压、高脂血症、心力衰竭、糖尿病并发症、代谢综合征、肌肉疏松症、癌症等疾病的药物，并具有优异的疗效。 本发明涉及一种由式（I）代表的化合物： 其中各符号如说明书中所定义，或其盐。
• Modular preparation of biphenyl triazoles via click chemistry as non-competitive hyaluronidase inhibitors
  作者：Yiman Qin、Guanyi Li、Ling Wang、Guangyuan Yin、Xiang Zhang、Hongxiang Wang、Pengfei Zheng、Wentao Hua、Yan Cheng、Yaxue Zhao、Jiong Zhang

  DOI：10.1016/j.bioorg.2024.107291

  日期：2024.5

  aging, sagging, and wrinkling, as well as inflammation and bacterial infections. In this study, to identify novel hyaluronidase inhibitors, we applied click chemistry for the modular synthesis of 370 triazoles in 96-well plates, starting with biphenyl azide. Utilizing an optimized turbidimetric screening assay in microplates, we identified Fmoc-containing triazoles and , as well as quinoline-containing

  透明质酸酶是药物发现中一个有前途的靶点，因为它在一系列生理和病理过程中过度表达，包括肿瘤迁移、皮肤老化、下垂和皱纹，以及炎症和细菌感染。在本研究中，为了鉴定新型透明质酸酶抑制剂，我们应用点击化学在 96 孔板中模块化合成 370 个三唑，从联苯叠氮化物开始。利用微孔板中优化的比浊筛选试验，我们鉴定出含 Fmoc 的三唑类和 ，以及含喹啉的三唑类和 ，作为高效的透明质酸酶抑制剂。随后的研究表明这些三唑可能与透明质酸酶的新结合位点相互作用。值得注意的是，这些抑制剂表现出最小的细胞毒性，并在 LPS 刺激的巨噬细胞中显示出有希望的抗炎作用。值得注意的是，浓度为 20 μM 的化合物可显着减少 74% 的 NO 释放。
• PYRIDINONE- AND PYRIDAZINONE-BASED COMPOUNDS AND MEDICAL USES THEREOF
  申请人：Cook, Timothy, H.

  公开号：EP3762377A1

  公开（公告）日：2021-01-13