2-Cyanchinazolin | 77768-05-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 2-Cyanchinazolin
• 英文别名: Cyano-quinazoline；quinazoline-2-carbonitrile
• CAS: 77768-05-9
• 化学式: C₉H₅N₃
• 分子量: 155.159
• InChiKey: VBAIRYVPTYQOSB-UHFFFAOYSA-N

物化性质

• 熔点：
  162-164 °C(Solv: acetonitrile (75-05-8))
• 沸点：
  352.0±25.0 °C(Predicted)
• 密度：
  1.29±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  49.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-Cyanchinazolin 在 羟胺 、 碳酸氢钠 作用下， 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Identification of a series of 4-[3-(quinolin-2-yl)-1,2,4-oxadiazol-5-yl]piperazinyl ureas as potent smoothened antagonist hedgehog pathway inhibitors

  摘要：

  The Hedgehog (Hh-) signalling pathway is a key developmental pathway and there is a growing body of evidence showing that this pathway is aberrantly reactivated in a number of human tumors. Novel agents capable of inhibiting this pathway are sought, and an entirely novel series of smoothened (Smo) antagonists capable of inhibiting the pathway have been identified through uHTS screening. Extensive exploration of the scaffold identified the key functionalities necessary for potency, enabling potent nanomolar Smo antagonists like 91 and 94 to be developed. Optimization resulted in the most advanced compounds displaying low serum shift, clean off-targets profile, and moderate clearance in both rats and dogs. These compounds are valuable tools with which to probe the biology of the Hh-pathway. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.07.031
• 作为产物：
  描述：

  氰化四乙基铵 、 Trimethyl-2-chinazolinylammoniumchlorid 以 二氯甲烷 为溶剂， 反应 0.5h， 以67%的产率得到2-Cyanchinazolin
  参考文献：
  名称：

  Hermann, Klaus; Simchen, Gerhard, Liebigs Annalen der Chemie, 1981, # 2, p. 333 - 341

  摘要：

  DOI：

文献信息

• [EN] HETEREOARYL NITRILE DERIVATIVES<br/>[FR] DERIVES D'HETEREOARYLE NITRILE
  申请人：NOVARTIS AG

  公开号：WO2004020441A1

  公开（公告）日：2004-03-11

  The invention provides compounds of Formula (I) or a pharmaceutically acceptable salt or ester thereof wherein the symbols have meaning as defined, which are inhibitors of cathepsin K and find use pharmaceutically for treatment of diseases and medical conditions in which cathepsin K is implicated, e.g. various disorders including inflammation, rheumatoid arthritis, osteoarthritis, osteoporosis and tumors.

  该发明提供了式（I）的化合物或其药用可接受的盐或酯，其中符号的含义如定义，这些化合物是卡特普辛K的抑制剂，并在药学上用于治疗卡特普辛K参与的疾病和医疗状况，例如各种疾病，包括炎症、类风湿关节炎、骨关节炎、骨质疏松症和肿瘤。
• [EN] DYRK1 INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE DYRK1 ET LEURS UTILISATIONS
  申请人：EXONHIT SA

  公开号：WO2013026806A1

  公开（公告）日：2013-02-28

  The present invention relates to novel thiazolo[5,4-ƒ]quinazoline compounds and methods that are useful in the amelioration, treatment or control of Down's syndrome or early Alzheimer's disease or in the amelioration, treatment or control of cancers, especially solid tumors. More specifically, the invention relates to DYRK1A and/or DYRK1B inhibitors and to methods for preparing such compounds.

  本发明涉及新型噻唑并[5,4-ƒ]喹噁唑化合物及其在改善、治疗或控制唐氏综合征或早期阿尔茨海默病或改善、治疗或控制癌症，特别是固体肿瘤方面有用的方法。更具体地说，该发明涉及DYRK1A和/或DYRK1B抑制剂以及制备这类化合物的方法。
• [EN] CONDENSED HETEROCYCLIC COMPOUNDS AS PDE-IV INHIBITORS FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS<br/>[FR] COMPOSES CONDENSES HETEROCYCLIQUES UTILISES COMME INHIBITEURS DE PDE-IV DANS LE TRAITEMENT DE TROUBLES INFLAMMATOIRES ET ALLERGIQUES
  申请人：GLENMARK PHARMACEUTICALS LTD

  公开号：WO2004016596A1

  公开（公告）日：2004-02-26

  The present invention relates to novel heterocyclic compounds that inhibit phosphodiesterase type 4 (PDE4). The compounds are useful for treating inflammatory conditions, diseases of the central nervous system and insulin resistant diabetes , (formula I) wherein P is selected from the group consisting of bond, oxygen, sulfur and NR1; wherein P1 is selected from the group consisting of hydrogen, halogen atom, -OR1, -S(O)mR1, -C(O)R1, formly amine, nitro and -NRxRy. R2 is selected from the group consisting of hydrogen, halogen, substituted or unsubstituted alkyl, substituted or unsubstituted cycloalkyl, CN, -CH=CR3R3. The ring 'A' is selected from the group consisting of substituted or unsubstituted aryl ring, and optionally substituted saturated or unsaturated five to seven membered heterocyclic ring containing one or more heteroatoms selected from the group consisting of O, S, and NR1; wherein R1, Rx, Ry and R3 are as defined in the description.

  本发明涉及一种新型杂环化合物，其抑制磷酸二酯酶4型（PDE4）。这些化合物可用于治疗炎症性疾病、中枢神经系统疾病和胰岛素抵抗性糖尿病，（式I）其中P选自键，氧，硫和NR1的组；其中P1选自氢，卤素原子，-OR1，-S（O）mR1，-C（O）R1，甲酰胺，硝基和-NRxRy的组。R2选自氢，卤素，取代或未取代的烷基，取代或未取代的环烷基，CN，-CH=CR3R3。环'A'选自取代或未取代的芳基环，以及可选地取代的饱和或不饱和的含有一个或多个来自O、S和NR1的杂原子的五至七元杂环环，其中R1、Rx、Ry和R3如描述中所定义。
• Compounds and methods for treatment of thrombosis
  申请人：Abdel-Meguid S. Sherin

  公开号：US20050143317A1

  公开（公告）日：2005-06-30

  The present invention provides compounds that inhibit Factor XIa and methods of preventing or treating undesired thrombosis by administering a compound of the invention to a mammal. The invention also provides three-dimensional structures of Factor XIa and methods for designing or selecting additional Factor XIa inhibitors using these structures.

  本发明提供了能够抑制XIa因子的化合物，以及通过向哺乳动物投与本发明的化合物来预防或治疗不良血栓形成的方法。本发明还提供了XIa因子的三维结构以及利用这些结构设计或选择其他XIa因子抑制剂的方法。
• Hetereoaryl nitrile derivatives
  申请人：Altmann Eva

  公开号：US20060142575A1

  公开（公告）日：2006-06-29

  The invention provides compounds of Formula (I) or a pharmaceutically acceptable salt or ester thereof wherein the symbols have meaning as defined, which are inhibitors of cathepsin K and find use pharmaceutically for treatment of diseases and medical conditions in which cathepsin K is implicated, e.g. various disorders including inflammation, rheumatoid arthritis, osteoarthritis, osteoporosis and tumors.

  本发明提供了式（I）的化合物或其药学上可接受的盐或酯，其中符号的含义如定义所述，这些化合物是猫hepsin K的抑制剂，并且在药学上用于治疗与猫hepsin K有关的疾病和医疗状况，例如各种疾病，包括炎症，类风湿性关节炎，骨关节炎，骨质疏松症和肿瘤。