5-(吡啶-2-基)-1,3,4-恶二唑-2-羧酸乙酯 | 900322-55-6

• 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-(吡啶-2-基)-1,3,4-恶二唑-2-羧酸乙酯
• 英文名称: ethyl 5-(pyridin-2-yl)-1,3,4-oxadiazole-2-carboxylate
• 英文别名: ethyl 5-(2-pyridyl)-1,3,4-oxadiazole-2-carboxylate；ethyl 5-pyridin-2-yl-1,3,4-oxadiazole-2-carboxylate
• CAS: 900322-55-6
• 化学式: C₁₀H₉N₃O₃
• 分子量: 219.2
• InChiKey: YDGFTGFMZVMCBS-UHFFFAOYSA-N

物化性质

• 沸点：
  369.8±34.0 °C(Predicted)
• 密度：
  1.277±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  78.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5-(吡啶-2-基)-1,3,4-恶二唑-2-羧酸乙酯 在 lithium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 生成 lithium 5-(pyridin-2-yl)-1,3,4-oxadiazole-2-carboxylate
  参考文献：
  名称：

  WO2019195810A5

  摘要：

  公开号：

  WO2019195810A5
• 作为产物：
  描述：

  2-吡啶甲酸乙酯 在 hydrazine hydrate 、 三乙胺 、 对甲苯磺酰氯 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 4.5h， 生成 5-(吡啶-2-基)-1,3,4-恶二唑-2-羧酸乙酯
  参考文献：
  名称：

  WO2019195810A5

  摘要：

  公开号：

  WO2019195810A5

文献信息

• [EN] AMIDE COMPOUNDS, COMPOSITIONS AND APPLICATIONS THEREOF<br/>[FR] COMPOSÉS AMIDES, COMPOSITIONS ET APPLICATIONS DE CEUX-CI
  申请人：ADVINUS THERAPEUTICS LTD

  公开号：WO2013042139A1

  公开（公告）日：2013-03-28

  The present disclosure relates to substituted amide compounds that are inhibitors of Fatty Acid Amide Hydrolase (FAAH), their stereoisomers, tautomers, prodrugs, polymorphs, solvates, pharmaceutically acceptable salts, and pharmaceutical compositions containing them. These compounds are useful in the treatment, prevention, prophylaxis, management, or adjunct treatment of all medical conditions related to inhibition of Fatty Acid Amide Hydrolase (FAAH), such as pain including acute and post operative pain, chronic pain, cancer pain, cancer chemotherapy induced pain, neuropathic pain, nociceptive pain, inflammatory pain, back pain, pain due to disease of various origin such as: diabetic neuropathy, neurotropic viral disease including human immunodeficient virus (HIV), herpes zoster such as post herpetic neuralgia; polyneuropathy, neurotoxicity, mechanical nerve injury, carpal tunnel syndrome, immunologic mechanisms like multiple sclerosis; sleep disorders, anxiety and depression disorders, inflammatory disorders, weight and eating disorders, Parkinson's disease, addiction, spasticity, hypertension or other disorders. The disclosure also relates to the process of preparation of the amide compounds. Formula (1). The present disclosure also relates to methods for the preparation of such compounds, and to pharmaceutical compositions containing them.

  本公开涉及替代酰胺化合物，这些化合物是脂肪酸酰胺水解酶（FAAH）的抑制剂，包括它们的立体异构体、互变异构体、前药、多型体、溶剂合物、药用盐以及含有它们的药物组合物。这些化合物在治疗、预防、预防、管理或辅助治疗与脂肪酸酰胺水解酶（FAAH）抑制相关的所有医疗状况中非常有用，例如疼痛，包括急性和术后疼痛，慢性疼痛，癌症疼痛，癌症化疗引起的疼痛，神经痛，伤害性疼痛，炎症性疼痛，背部疼痛，疾病引起的疼痛，如糖尿病性神经病变，神经病毒性疾病，包括人类免疫缺陷病毒（HIV），带状疱疹，如带状疱疹后神经痛；多发性神经病，神经毒性，机械神经损伤，腕管综合症，类似多发性硬化的免疫机制；睡眠障碍，焦虑和抑郁症，炎症性疾病，体重和进食障碍，帕金森病，成瘾，痉挛，高血压或其他疾病。该公开还涉及酰胺化合物的制备过程。公式（1）。本公开还涉及制备这类化合物的方法，以及含有它们的药物组合物。
• AMIDE COMPOUNDS, COMPOSITIONS AND APPLICATIONS THEREOF
  申请人：ADVINUS THERAPEUTICS LIMITED

  公开号：US20150065464A1

  公开（公告）日：2015-03-05

  The present disclosure relates to substituted amide compounds that are inhibitors of Fatty Acid Amide Hydrolase (FAAH), their stereoisomers, tautomers, prodrugs, polymorphs, solvates, pharmaceutically acceptable salts, and pharmaceutical compositions containing them. These compounds are useful in the treatment, prevention, prophylaxis, management, or adjunct treatment of all medical conditions related to inhibition of Fatty Acid Amide Hydrolase (FAAH), such as pain including acute and post operative pain, chronic pain, cancer pain, cancer chemotherapy induced pain, neuropathic pain, nociceptive pain, inflammatory pain, back pain, pain due to disease of various origin such as: diabetic neuropathy, neurotropic viral disease including human immunodeficient virus (HIV), herpes zoster such as post herpetic neuralgia; polyneuropathy, neurotoxicity, mechanical nerve injury, carpal tunnel syndrome, immunologic mechanisms like multiple sclerosis; sleep disorders, anxiety and depression disorders, inflammatory disorders, weight and eating disorders, Parkinson's disease, addiction, spasticity, hypertension or other disorders. The disclosure also relates to the process of preparation of the amide compounds. The present disclosure also relates to methods for the preparation of such compounds, and to pharmaceutical compositions containing them.

  本公开涉及替代酰胺化合物，它们是脂肪酸酰胺水解酶（FAAH）的抑制剂，包括它们的立体异构体、互变异构体、前药、多型体、溶剂合物、药用可接受盐以及含有它们的药物组合物。这些化合物在治疗、预防、预防、管理或辅助治疗与脂肪酸酰胺水解酶（FAAH）抑制相关的所有医疗状况中非常有用，如疼痛，包括急性和术后疼痛，慢性疼痛，癌症疼痛，癌症化疗引起的疼痛，神经痛，伤害性疼痛，炎症性疼痛，背部疼痛，疾病引起的疼痛，如糖尿病性神经病变，神经病毒性疾病，包括人类免疫缺陷病毒（HIV），带状疱疹，如带状疱疹后神经痛；多发性神经病，神经毒性，机械神经损伤，腕管综合症，免疫机制如多发性硬化症；睡眠障碍，焦虑和抑郁症，炎症性疾病，体重和进食障碍，帕金森病，成瘾，痉挛，高血压或其他疾病。本公开还涉及酰胺化合物的制备过程。本公开还涉及制备这类化合物的方法，以及含有它们的药物组合物。
• <i>N</i>-Heterocyclic Carbene-Catalyzed Cyclization of Aldehydes with α-Diazo Iodonium Triflate: Facile Access to 2,5-Disubstituted 1,3,4-Oxadiazoles
  作者：Hang Huang、Xianghua Zou、Si Cao、Zhihong Peng、Yingying Peng、Xi Wang

  DOI：10.1021/acs.orglett.1c01128

  日期：2021.6.4

  novel organocatalytic process for synthesis of complex 1,3,4-oxadiazoles from readily accessible aldehydes. By exploiting the nucleophilicity of the putative Breslow intermediate and the inherent electrophilicity of α-diazo iodonium triflate, we have found that N-heterocyclic carbene catalyst promotes efficient cyclization of various aldehydes and α-diazo iodonium triflates. The reaction proceeds under

  在这里，我们报告了一种新的有机催化方法，用于从容易获得的醛合成复杂的 1,3,4-恶二唑。通过利用假定的 Breslow 中间体的亲核性和 α-重氮三氟甲磺酸盐固有的亲电性，我们发现N-杂环卡宾催化剂促进了各种醛和 α-重氮三氟甲磺酸盐的有效环化。该反应在具有广泛官能团耐受性的温和条件下进行。杂环产品可以很容易地进一步功能化，使该协议具有很高的价值。
• ATF6 inhibitors and uses thereof
  申请人：Black Belt Tx Ltd

  公开号：US10829485B2

  公开（公告）日：2020-11-10

  Compounds as inhibitors of Activating Transcription Factor 6 (ATF6) are provided. The compounds may find use as therapeutic agents for the treatment of diseases or disorders mediated by ATF6 and may find particular use in the treatment of viral infections, neurodegenerative diseases, vascular diseases, or cancer.

  本研究提供了作为活化转录因子 6（ATF6）抑制剂的化合物。这些化合物可作为治疗剂用于治疗由 ATF6 介导的疾病或紊乱，尤其可用于治疗病毒感染、神经退行性疾病、血管疾病或癌症。
• DNDI-6148: A Novel Benzoxaborole Preclinical Candidate for the Treatment of Visceral Leishmaniasis
  作者：Charles E. Mowbray、Stéphanie Braillard、Paul A. Glossop、Gavin A. Whitlock、Robert T. Jacobs、Jason Speake、Bharathi Pandi、Bakela Nare、Louis Maes、Vanessa Yardley、Yvonne Freund、Richard J. Wall、Sandra Carvalho、Davide Bello、Magali Van den Kerkhof、Guy Caljon、Ian H. Gilbert、Victoriano Corpas-Lopez、Iva Lukac、Stephen Patterson、Fabio Zuccotto、Susan Wyllie

  DOI：10.1021/acs.jmedchem.1c01437

  日期：2021.11.11