1,4-二氢-7H-吡唑并[4,3-B]吡啶-7-酮 | 94220-42-5

• 物质功能分类: 医药中间体 - 吡啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡唑并吡啶类
• 中文名称: 1,4-二氢-7H-吡唑并[4,3-B]吡啶-7-酮
• 英文名称: 1H-pyrazolo[4,3-b]pyridin-7-ol
• 英文别名: 1,4-dihydropyrazolo[4,3-b]pyridin-7-one
• CAS: 94220-42-5
• 化学式: C₆H₅N₃O
• mdl: MFCD18533749
• 分子量: 135.12
• InChiKey: ACDUJQGKAQGANY-UHFFFAOYSA-N

物化性质

• 沸点：
  382.5±42.0 °C(Predicted)
• 密度：
  1.443

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  10
• 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：
  57.8
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  7-Oxo-1,4-dihydropyrazolo[4,3-b]pyridine-6-carboxylic acid 在 氮 、 petrol 、 crude product 、 乙醇乙醚 作用下， 以 二苯醚-联苯共晶 、 petrol 为溶剂， 反应 2.5h， 以gave the title compound as very fine needles, m.p.>320° C.的产率得到1,4-二氢-7H-吡唑并[4,3-B]吡啶-7-酮
  参考文献：
  名称：

  Pyrazolopyridine derivatives useful in treating inflammation and

  摘要：

  化合物式为（I）或其盐的化合物： ##STR1## 其中： R1为氢、C1-6烷基或苯基，可选用卤素、CF3、C1-4烷氧基或C1-4烷基取代； R2为氢或C1-6烷基； R3为C2-10烯基或C1-10烷基，取代基为羟基、C1-4烷氧基、硫醇、C1-4烷基硫基或NR7R8，其中R7和R8独立地为氢或C1-6烷基，或者一起为C3-6聚亚甲基； R4和R5独立地为氢或C1-4烷基； R6为氢，或附加在氮原子1或2处的C1-4烷基或苄基； 具有抗炎和/或抗过敏活性。

  公开号：

  US04670432A1

文献信息

• [EN] SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES BICYCLIQUES SUBSTITUÉS UTILISÉS EN TANT QU'INHIBITEURS DE NADPH OXYDASE
  申请人：GLENMARK PHARMACEUTICALS SA

  公开号：WO2018203298A1

  公开（公告）日：2018-11-08

  The present application relates to substituted fused heteroaryl and heterocyclic compounds, useful as nicotinamide adenine dinucleotide phosphate oxidase inhibitors (NADPH oxidase inhibitors), processes for their preparation, pharmaceutical compositions comprising the compounds, and the use of the compounds or the compositions in the treatment or prevention of various diseases, conditions and/or disorders mediated by NADPH oxidase. (Formula I)

  本申请涉及取代的融合杂环芳基和杂环化合物，用作烟酰胺腺嘌呤二核苷酸磷酸酶抑制剂（NADPH氧化酶抑制剂），其制备方法，包含这些化合物的药物组合物，以及这些化合物或组合物在治疗或预防由NADPH氧化酶介导的各种疾病、症状和/或障碍中的用途。 (分子式I)
• Substituted Benzene Compounds
  申请人：Epizyme, Inc.

  公开号：US20140315945A1

  公开（公告）日：2014-10-23

  The present invention relates to azole compounds. The present invention also relates to pharmaceutical compositions containing these compounds and methods of treating cancer by administering these compounds and pharmaceutical compositions to subjects in need thereof. The present invention also relates to the use of such compounds for research or other non-therapeutic purposes.

  本发明涉及唑类化合物。本发明还涉及含有这些化合物的药物组合物以及通过向需要的受试者投予这些化合物和药物组合物来治疗癌症的方法。本发明还涉及将这些化合物用于研究或其他非治疗目的的用途。
• 5- And/or 7-substituted pyrazolo-[4,3-b]-pyridines and their use as
  申请人：Beecham Group, p.l.c.

  公开号：US04559348A1

  公开（公告）日：1985-12-17

  Compounds of the formula (I) and pharmaceutically acceptable salts thereof: ##STR1## wherein: the first of R.sub.1 and R.sub.2 is hydrogen, C.sub.1-4 alkyl or phenyl optionally substituted by one or two substituents selected from halogen, CF.sub.3, C.sub.1-4 alkoxy or alkyl and the second is SR.sub.4 wherein R.sub.4 is phenyl optionally substituted by halogen, CF.sub.3, C.sub.1-4 alkoxy or C.sub.1-4 alkyl, or NR.sub.5 R.sub.6 wherein R.sub.5 and R.sub.6 are independently selected from hydrogen, C.sub.1-6 alkyl, C.sub.3-8 cycloalkyl, phenyl or phenyl C.sub.1-4 alkyl either of which phenyl moieties may be substituted by one or two substituents selected from halogen, CF.sub.3, C.sub.1-4 alkoxy or C.sub.1-4 alkyl, or R.sub.5 and R.sub.6 together form C.sub.4-6 polymethylene; and R.sub.3 is hydrogen, C.sub.1-4 alkyl or benzyl and is attached at nitrogen atom 1 or 2, having anti-inflammatory activity, a process for their preparation and their use as pharmaceuticals.

  公式（I）的化合物及其药学上可接受的盐：##STR1## 其中：R.sub.1和R.sub.2中的第一个是氢，C.sub.1-4烷基或苯基，可选地被卤素，CF.sub.3，C.sub.1-4烷氧基或烷基中的一种或两种取代基取代；而第二个是SR.sub.4，其中R.sub.4是苯基，可选地被卤素，CF.sub.3，C.sub.1-4烷氧基或C.sub.1-4烷基，或NR.sub.5R.sub.6，其中R.sub.5和R.sub.6分别选自氢，C.sub.1-6烷基，C.sub.3-8环烷基，苯基或苯基C.sub.1-4烷基，其中任一苯基取代基可选地为卤素，CF.sub.3，C.sub.1-4烷氧基或C.sub.1-4烷基，或R.sub.5和R.sub.6共同形成C.sub.4-6聚亚甲基；而R.sub.3是氢，C.sub.1-4烷基或苄基，并附加在氮原子1或2上，具有抗炎活性，其制备过程和作为制药用途的应用。
• Pyrazolopyridine derivatives and their use as anti-inflammatory and/or
  申请人：Beecham Group p.l.c.

  公开号：US04576952A1

  公开（公告）日：1986-03-18

  Compounds of formula (I) and pharmaceutically acceptable salts thereof: ##STR1## wherein: R.sub.1 is hydrogen, C.sub.1-6 alkyl or phenyl optionally substituted by halogen, CF.sub.3, C.sub.1-4 alkoxy or C.sub.1-4 alkyl; R.sub.2 is hydrogen or C.sub.1-6 alkyl; R.sub.3 is hydroxy, nitro, cyano, C.sub.2-10 acyloxy, NR.sub.6 R.sub.7 wherein R.sub.6 and R.sub.7 are independently selected from hydrogen, C.sub.1-6 alkyl, C.sub.2-7 alkanoyl or C.sub.1-6 alkylsulphonyl; or COR.sub.8 wherein R.sub.8 is hydroxy, C.sub.1-6 alkoxy or NR.sub.9 R.sub.10 wherein R.sub.9 and R.sub.10 are independently selected from hydrogen or C.sub.1-6 alkyl; R.sub.4 is hydrogen, halogen, CF.sub.3, C.sub.1-4 alkoxy, C.sub.1-4 alkyl or any of the groups listed for R.sub.3 ; and R.sub.5 is hydrogen, C.sub.1-4 alkyl or benzyl optionally substituted in the phenyl ring by halogen, CF.sub.3, C.sub.1-4 alkoxy or C.sub.1-4 alkyl and is attached at nitrogen atom 1 or 2, having anti-inflammatory and/or anti-allergy activity, and their use as pharmaceuticals.

  化合物的式子（I）及其药学可接受的盐：##STR1## 其中：R.sub.1代表氢，C.sub.1-6烷基或苯基，其上可以选择性地取代卤素，CF.sub.3，C.sub.1-4烷氧基或C.sub.1-4烷基；R.sub.2代表氢或C.sub.1-6烷基；R.sub.3代表羟基，硝基，氰基，C.sub.2-10酰氧基，NR.sub.6R.sub.7，其中R.sub.6和R.sub.7独立地选择自氢，C.sub.1-6烷基，C.sub.2-7脂肪酰基或C.sub.1-6烷基磺酰基；或COR.sub.8，其中R.sub.8代表羟基，C.sub.1-6烷氧基或NR.sub.9R.sub.10，其中R.sub.9和R.sub.10独立地选择自氢或C.sub.1-6烷基；R.sub.4代表氢，卤素，CF.sub.3，C.sub.1-4烷氧基，C.sub.1-4烷基或R.sub.3所列出的任何基团；而R.sub.5代表氢，C.sub.1-4烷基或苯甲基，其上可以选择性地在苯环中取代卤素，CF.sub.3，C.sub.1-4烷氧基或C.sub.1-4烷基，并且附着在氮原子1或2上，具有抗炎和/或抗过敏活性，并且它们作为药物的用途。
• Indazole derivatives that are activators of soluble guanylate cyclase
  申请人：——

  公开号：US20040048866A1

  公开（公告）日：2004-03-11

  Compounds of formula (I) 1 are novel indazoles useful for increasing cGMP levels in a mammal.

  式(I)的化合物是一种新型的吲哚唑，可用于提高哺乳动物体内的cGMP水平。