4-吡啶乙腈盐酸盐

• 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: 4-吡啶乙腈盐酸盐
• 中文别名: 4-吡啶乙氰盐酸盐；4-吡啶乙酰腈盐酸盐；4-吡啶乙酰腈.盐酸盐；4-乙腈吡啶盐酸盐
• 英文名称: pyridin-4-ylacetonitrile hydrochloride
• 英文别名: 4-pyridylacetonitrile hydrochloride；4-pyridineacetonitrile hydrochloride；2-(pyridin-4-yl)acetonitrile hydrochloride；2-(pyridine-4-yl)acetonitrile hydrochloride；2-Pyridin-1-ium-4-ylacetonitrile;chloride；2-pyridin-1-ium-4-ylacetonitrile;chloride
• 化学式: C₇H₇N₂*Cl
• mdl: MFCD00012825
• 分子量: 154.599
• InChiKey: UBYQSEXKPQZPCN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.45
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  36.7
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-吡啶乙腈盐酸盐 在 氢溴酸肼 、 氢溴酸 、 溶剂黄146 、 三乙胺 作用下， 以 乙醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 20.17h， 生成 4-[3-(吡啶-4-基)吡唑并[1,5-A]嘧啶-6-基]苯酚
  参考文献：
  名称：

  [EN] INHIBITORS OF THE BMP SIGNALING PATHWAY
  [FR] INHIBITEURS DE LA VOIE DE SIGNALISATION BMP

  摘要：

  本发明提供了BMP信号通路的小分子抑制剂。这些化合物可用于调节细胞生长、分化、增殖和凋亡，因此可用于治疗与BMP信号通路相关的疾病或症状，包括炎症、心血管疾病、血液学疾病、癌症和骨骼疾病，以及调节细胞分化和/或增殖。

  公开号：

  WO2009114180A1
• 作为产物：
  描述：

  [3-(Dimethylamino)-2-pyridin-4-ylprop-2-enylidene]-dimethylazanium;chloride 以96%的产率得到
  参考文献：
  名称：

  JANSCH, HANS-JOACHIM;SCHAFER, JURGEN;NIEDRICH, HARTMUT;HAGEN, VOLKER;KLAU+

  摘要：

  DOI：

文献信息

• [EN] NOVEL COMPOUNDS<br/>[FR] NOUVEAUX COMPOSÉS
  申请人：INFLAZOME LTD

  公开号：WO2019211463A1

  公开（公告）日：2019-11-07

  The present invention relates to substituted 5-membered nitrogen containing heteroaryl compounds, such as sulfonyl triazoles, where the heteroaryl ring is further substituted, optionally via a linking group such as -NH-, with a cyclic group which in turn is substituted at the α-position. The present invention further relates to associated salts, solvates, prodrugs and pharmaceutical compositions, and to the use of such compounds in the treatment and prevention of medical disorders and diseases, most especially by NLRP3 inhibition.

  本发明涉及取代的含氮杂环化合物，例如磺酰基三唑，其中杂环环进一步取代，可选地通过类似-NH-的连接基团，与环状基团相连，该环状基团在α-位置进一步取代。本发明还涉及相关的盐、溶剂合物、前药和药物组合物，以及这些化合物在治疗和预防医学疾病和疾病中的使用，尤其是通过NLRP3抑制。
• Functionalized cyano-OPVs as melt-processable two-photon absorbers
  作者：Brian T. Makowski、Joseph Lott、Brent Valle、Kenneth D. Singer、Christoph Weder

  DOI：10.1039/c2jm15846a

  日期：——

  Several cyano-functionalized oligo(phenylenevinylene) (cyano-OPV) dyes were modified with different alkyl substituents with the objective to develop melt-processable, two-photon absorbing materials. The new dyes exhibit two-photon absorption cross-sections in the range of 400–850 GM, can be melt-processed at temperatures as low as ∼100 °C, and offer high thermal stability. The propensity of these molecules to form excimers also makes them interesting for sensor and data storage applications.

  几种氰基功能化的低聚芴（cyano-OPV）染料通过修饰不同烷基取代基，旨在开发可熔融加工、具有双光子吸收特性的材料。这些新型染料展现出的双光子吸收截面范围在400至850 GM之间，可在低至约100°C的温度下熔融加工，并具备高度热稳定性。这些分子形成激发态二聚体（excimer）的倾向性，也使它们在传感器和数据存储应用领域颇具潜力。
• 6-Aryl pyrido\x9b2,3-d! pyrimidines and naphthyridines for inhibiting
  申请人：——

  公开号：US05733913A1

  公开（公告）日：1998-03-31

  6-Aryl pyrido\x9b2,3-d!pyrimidines and naphthyridines are inhibitors of protein tyrosine kinase, and are thus useful in treating cellular proliferation mediated thereby. The compounds are especially useful in treating atherosclerosis, restenosis, psoriasis, as well as bacterial infections.

  6-芳基吡啶并[2,3-d]嘧啶和萘嘧啶是蛋白酪氨酸激酶的抑制剂，因此在治疗由此介导的细胞增殖方面非常有用。这些化合物在治疗动脉粥样硬化、再狭窄、牛皮癣以及细菌感染方面特别有用。
• Organic Compounds as Smo Inhibitors
  申请人：HE Feng

  公开号：US20100041663A1

  公开（公告）日：2010-02-18

  The present invention relates generally to novel compounds relating to the diagnosis and treatment of pathologies relating to the Hedgehog pathway, including but not limited to tumor formation, cancer, neoplasia, and non-malignant hyperproliferative disorders. The present invention includes novel compounds, novel compositions, methods of their use and methods of their manufacture, where such compounds are generally pharmacologically useful as agents in therapies whose mechanism of action involve methods of inhibiting tumorigenesis, tumor growth and tumor survival using agents that inhibit the Hedgehog and Smo signaling pathway.

  本发明一般涉及与Hedgehog通路相关的病理诊断和治疗的新化合物，包括但不限于肿瘤形成、癌症、肿瘤和非恶性过度增殖性疾病。本发明包括新化合物、新组合物、它们的使用方法和制备方法，这些化合物通常在药理学上作为治疗剂是有用的，其作用机制涉及通过抑制Hedgehog和Smo信号通路的方法来抑制肿瘤发生、肿瘤生长和肿瘤存活。
• Synthesis and &lt;i&gt;in Vivo&lt;/i&gt; Evaluation of Novel Quinoline Derivatives as Phosphodiesterase 10A Inhibitors
  作者：Wataru Hamaguchi、Naoyuki Masuda、Kiyohiro Samizu、Takuma Mihara、Kaori Takama、Toshihiro Watanabe

  DOI：10.1248/cpb.c14-00509

  日期：——

  A novel class of phosphodiesterase 10A (PDE10A) inhibitors with improved metabolic stability in mouse liver microsomes were designed and synthesized starting from 2-(4-[1-methyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline (MP-10). Replacement of the phenoxymethyl part of MP-10 with an oxymethyl phenyl unit led to the identification of 2-[4-([1-methyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl]oxy}methyl)phenyl]quinoline (14), which showed moderate PDE10A inhibitory activity with improved metabolic stability in mouse and human liver microsomes over MP-10. Compound 14 showed high concentrations in plasma and brain after intraperitoneal administration and dose-dependently attenuated the hyperlocomotion induced by phencyclidine in mice, and oral administration of 14 (0.1, 0.3 mg/kg) also improved visual-recognition memory impairment in mice.

  从2-(4-[1-甲基-4-(吡啶-4-基)-1H-吡唑-3-基]苯氧基}甲基)喹啉（MP-10）出发，设计并合成了一类新型的磷酸二酯酶10A（PDE10A）抑制剂，其在小鼠肝微粒体中具有改善的代谢稳定性。将MP-10的苯氧甲基部分替换为氧甲基苯单元后，鉴定出2-[4-([1-甲基-4-(吡啶-4-基)-1H-吡唑-3-基]氧}甲基)苯基]喹啉（14），该化合物在小鼠和人肝微粒体中显示出中等的PDE10A抑制活性，且代谢稳定性优于MP-10。化合物14在腹腔注射后在血浆和脑中显示出高浓度，并剂量依赖性地减轻了苯环利定引起的小鼠过度运动，口服给药14（0.1, 0.3 mg/kg）也能改善小鼠的视觉识别记忆障碍。