7-氯-5-甲基-1H-吡唑并[4,3-b]-吡啶 | 94220-38-9

• 物质功能分类: 有机原料 - 杂环化合物
• 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: 7-氯-5-甲基-1H-吡唑并[4,3-b]-吡啶
• 中文别名: 7-氯-5-甲基吡唑[4,3-B]并吡啶；5-甲基-7-氯-4-氮杂吲唑
• 英文名称: 5-Methyl-7-chloro-pyrazolo[4,3-b]pyridine
• 英文别名: 7-chloro-5-methyl-1H-pyrazolo[4,3-b]pyridine
• CAS: 94220-38-9
• 化学式: C₇H₆ClN₃
• mdl: MFCD08236755
• 分子量: 167.598
• InChiKey: GTYZRPHAMFVUEE-UHFFFAOYSA-N

物化性质

• 沸点：
  307.3±37.0 °C(Predicted)
• 密度：
  1.438±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  7-氯-5-甲基-1H-吡唑并[4,3-b]-吡啶 在 苯胺 作用下， 以72%的产率得到7-anilino-5-methyl-1H-pyrazolo(4,3-b)pyridine
  参考文献：
  名称：

  5- And/or 7-substituted pyrazolo-[4,3-b]-pyridines and their use as

  摘要：

  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中的第一个为氢，C.sub.1-4烷基或苯基，可选地由卤素，CF.sub.3，C.sub.1-4烷氧基或烷基中的一种或两种取代基所取代；第二个为SR.sub.4，其中R.sub.4为苯基，可选地由卤素，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独立地选自氢，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多亚甲基；R.sub.3为氢，C.sub.1-4烷基或苯甲基，附加在氮原子1或2上，具有抗炎活性，其制备过程及其作为药物的用途。

  公开号：

  US04559348A1
• 作为产物：
  描述：

  5-甲基-1H-吡唑[4,3-b]吡啶-7-醇 在 三氯氧磷 作用下， 反应 0.5h， 以87%的产率得到7-氯-5-甲基-1H-吡唑并[4,3-b]-吡啶
  参考文献：
  名称：

  WO2006/44821

  摘要：

  公开号：

文献信息

• [EN] COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF ENDOSOMAL TOLL-LIKE RECEPTORS<br/>[FR] COMPOSÉS ET COMPOSITIONS EN TANT QU'INHIBITEURS DE RÉCEPTEURS DE TYPE TOLL ENDOSOMAL
  申请人：NOVARTIS AG

  公开号：WO2018047081A1

  公开（公告）日：2018-03-15

  The invention disclosed herein relates to 4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridinyl compounds and 4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridinyl compounds of Formula (A), pharmaceutical compositions comprising such compounds and the use of such compounds in the treatment of autoimmune diseases.

  本发明涉及4,5,6,7-四氢-1H-吡唑并[4,3-c]吡啶基化合物和4,5,6,7-四氢-2H-吡唑并[4,3-c]吡啶基化合物（A式），包括这些化合物的药物组合物以及在治疗自身免疫疾病中使用这些化合物的用途。
• Pyrazolopyridine derivatives useful in treating inflammation and
  申请人：Beecham Group p.l.c.

  公开号：US04670432A1

  公开（公告）日：1987-06-02

  A compound of formula (I) or a salt 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 C.sub.2-10 alkenyl or C.sub.1-10 alkyl substituted by hydroxy, C.sub.1-4 alkoxy, thiol, C.sub.1-4 alkylthio or NR.sub.7 R.sub.8 wherein R.sub.7 and R.sub.8 are independently hydrogen or C.sub.1-6 alkyl or together are C.sub.3-6 polymethylene; R.sub.4 and R.sub.5 are independently hydrogen or C.sub.1-4 alkyl; and R.sub.6 is hydrogen; or C.sub.1-4 alkyl or benzyl attached at nitrogen atom 1 or 2; having anti-inflammatory and/or anti-allergy activity.

  化合物式(I)或其盐：##STR1## 其中：R.sub.1是氢，C.sub.1-6烷基或苯基，可选地被卤素，CF.sub.3，C.sub.1-4烷氧基或C.sub.1-4烷基取代; R.sub.2是氢或C.sub.1-6烷基; R.sub.3是C.sub.2-10烯基或C.sub.1-10烷基，被羟基，C.sub.1-4烷氧基，硫醇，C.sub.1-4烷基硫醇或NR.sub.7 R.sub.8取代，其中R.sub.7和R.sub.8独立地是氢或C.sub.1-6烷基，或者一起是C.sub.3-6聚亚甲基; R.sub.4和R.sub.5独立地是氢或C.sub.1-4烷基; 而R.sub.6是氢; 或者附加在氮原子1或2上的C.sub.1-4烷基或苄基; 具有抗炎和/或抗过敏活性。
• CRF receptor antagonists and methods relating thereto
  申请人：Neurocrine Biosciences, Inc.

  公开号：US06531475B1

  公开（公告）日：2003-03-11

  CRF receptor antagonists are disclosed which have utility in the treatment of a variety of disorders, including the treatment of disorders manifesting hypersecretion of CRF in a warm-blooded animals, such as stroke. The CRF receptor antagonists of this invention have the following structure: including stereoisomers and pharmaceutically acceptable salts thereof, wherein n, m, A, B, C, R, R1, R2 and Ar are as defined herein. Compositions containing a CRF receptor antagonist in combination with a pharmaceutically acceptable carrier are also disclosed, as well as methods for use of the same

  本发明披露了CRF受体拮抗剂，其在治疗各种疾病中具有用途，包括治疗在温血动物中表现为CRF过度分泌的疾病，如中风。本发明的CRF受体拮抗剂具有以下结构：包括其立体异构体和药学上可接受的盐，其中n、m、A、B、C、R、R1、R2和Ar的定义如本文所述。还披露了含有CRF受体拮抗剂与药学上可接受的载体结合的组合物，以及使用相同的方法。
• Pharmaceutically useful pyrazolo[4,3-b]pyridines
  申请人：Beecham Group p.l.c.

  公开号：US04833136A1

  公开（公告）日：1989-05-23

  A compound of the formula (I) or a salt or solvate thereof: ##STR1## in which: R.sub.0 is hydrogen or C.sub.1-6 alkyl; or together with R.sub.3 is C.sub.4-6 polymethylene; R.sub.1 and R.sub.2 are both hydrogen; or R.sub.1 is hydrogen, C.sub.1-6 alkyl; and R.sub.2 is CN; CR.sub.5 R.sub.6 Y where R.sub.5 and R.sub.6 are independently selected from hydrogen and C.sub.1-4 alkyl and Y is selected from hydrogen, OR.sub.7 or SR.sub.7 where R.sub.7 is hydrogen, C.sub.1-4 alkyl or C.sub.2-4 alkanoyl, and NR.sub.8 R.sub.9 where R.sub.8 and R.sub.9 are independently hydrogen, C.sub.1-4 alkyl, C.sub.2-4 alkenyl or C.sub.2-4 alkanoyl or together are C.sub.4-6 polymethylene; or COR.sub.10 where R.sub.10 is OH or C.sub.1-4 alkyl, or COR.sub.10 is a pharmaceutically acceptable ester or amide, or R.sub.2 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, and R.sub.1 is CN, CR.sub.5 R.sub.6 Y or COR.sub.10 as defined for R.sub.2 above; or R.sub.1 and R.sub.2 together form C.sub.3 -C.sub.6 polymethylene optionally substituted by C.sub.1 -C.sub.4 alkyl; R.sub.3 is hydrogen; or C.sub.1-10 alkyl or C.sub.3-10 cycloalkyl, either optionally substituted by hydroxy, C.sub.1-4 alkoxy, thiol, C.sub.1-4 alkylthio or NR.sub.11 R.sub.12 wherein R.sub.11 and R.sub.12 are independently hydrogen, C.sub.1-6 alkyl or C.sub.2-7 alkanoyl or together are C.sub.3-6 polymethylene; C.sub.2-10 alkenyl; or phenyl optionally substituted by one or two of halogen, CF.sub.3, C.sub.1-4 alkoxy, C.sub.1-4 alkyl, hydroxy, nitro, cyano, C.sub.2-10 acyloxy, NR.sub.13 R.sub.14 wherein R.sub.13 and R.sub.14 are independently selected from hydrogen, C.sub.1-6 alkyl, or C.sub.2-7 alkanoyl; or COR.sub.15 wherein R.sub.15 is hydroxy, C.sub.1-6 alkoxy or NR.sub.16 R.sub.17 wherein R.sub.16 and R.sub.17 are independently selected from hydrogen or C.sub.1-6 alkyl; or R.sub.3 is a mono- or fused bi-cyclic heteroaryl group having up to ten atoms in the aromatic ring(s), not more than two of which are selected from nitrogen, oxygen or sulphur, other than those containing basic nitrogen, optionally substituted by one or two substituents selected from halogen, CF.sub.3, C.sub.1-4 alkoxy, C.sub.1-4 alkyl, hydroxy, nitro, cyano, C.sub.2-10 acyloxy, NR.sub.23 R.sub.24 wherein R.sub.23 and R.sub.24 are independently selected from hydrogen, C.sub.1-6 alkyl, C.sub.2-7 alkanoyl or C.sub.1-6 alkylsulphonyl; or COR.sub.25 wherein R.sub.25 is hydroxy, C.sub.1-6 alkoxy or NR.sub.26 R.sub.27 wherein R.sub.26 and R.sub.27 are independently selected from hydrogen or C.sub.1-6 alkyl; R.sub.4 is hydrogen, or C.sub.1-4 alkyl, phenyl or benzyl, each of which is optionally substituted in the phenyl ring by one or two of halogen, CF.sub.3, C.sub.1-4 alkoxy or C.sub.1-4 alkyl and is attached at nitrogen atom 1 or 2; and R.sub.x is C.sub.1-6 alkyl, halogen, nitro, NR.sub.18 R.sub.19 where R.sub.18 and R.sub.19 are independently hydrogen, C.sub.1-6 alkyl or C.sub.2-7 alkanoyl, nitrile, COOH, CONH.sub.2 ; phenyl or benzyl optionally substituted by one or two of halogen, nitro, C.sub.1-6 alkoxy, hydroxy, C.sub.2-7 alkanoyloxy, NR.sub.18 R.sub.19, C.sub.1-6 alkyl, CF.sub.3, CN; thienyl, furyl or pyrryl optinoally N-substituted by C.sub.1-6 alkyl, with the proviso that R.sub.0 and R.sub.3 are not both hydrogen when R.sub.1 is hydrogen and R.sub.2 and R.sub.x are methyl, is useful for treating inflammatory or allergic conditions.

  化合物的公式（I）或其盐或溶剂化物：## STR1 ##其中：R.sub.0是氢或C.sub.1-6烷基；或与R.sub.3一起是C.sub.4-6聚亚甲基；R.sub.1和R.sub.2都是氢；或R.sub.1是氢，C.sub.1-6烷基；R.sub.2是CN；CR.sub.5R.sub.6Y，其中R.sub.5和R.sub.6独立选择自氢和C.sub.1-4烷基，Y选择自氢，OR.sub.7或SR.sub.7，其中R.sub.7是氢，C.sub.1-4烷基或C.sub.2-4烷酰基，以及NR.sub.8R.sub.9，其中R.sub.8和R.sub.9独立选择自氢，C.sub.1-4烷基，C.sub.2-4烯基或C.sub.2-4烷酰基，或一起是C.sub.4-6聚亚甲基；或COR.sub.10，其中R.sub.10是OH或C.sub.1-4烷基，或COR.sub.10是药学上可接受的酯或酰胺，或R.sub.2是氢，C.sub.1-6烷基或苯，可选择地被卤素，CF.sub.3，C.sub.1-4烷氧基或C.sub.1-4烷基置换，而R.sub.1是CN，CR.sub.5R.sub.6Y或COR.sub.10，如上所定义的R.sub.2；或R.sub.1和R.sub.2一起形成C.sub.3-C.sub.6聚亚甲基，可选择地被C.sub.1-C.sub.4烷基置换；R.sub.3是氢；或C.sub.1-10烷基或C.sub.3-10环烷基，任选地被羟基，C.sub.1-4烷氧基，硫醇，C.sub.1-4烷基硫醇或NR.sub.11R.sub.12取代，其中R.sub.11和R.sub.12独立选择自氢，C.sub.1-6烷基或C.sub.2-7烷酰基，或一起是C.sub.3-6聚亚甲基；C.sub.2-10烯基；或苯，可选择地被卤素，CF.sub.3，C.sub.1-4烷氧基，C.sub.1-4烷基，羟基，硝基，氰基，C.sub.2-10酰氧基，NR.sub.13R.sub.14，其中R.sub.13和R.sub.14独立选择自氢，C.sub.1-6烷基或C.sub.2-7烷酰基；或COR.sub.15，其中R.sub.15是羟基，C.sub.1-6烷氧基或NR.sub.16R.sub.17，其中R.sub.16和R.sub.17独立选择自氢或C.sub.1-6烷基；或R.sub.3是具有芳香环中最多十个原子的单环或融合双环杂环基团，其中不超过两个选择自氮，氧或硫，除了含有碱性氮的基团，可选择地被一或两个取代基取代，所述取代基选择自卤素，CF.sub.3，C.sub.1-4烷氧基，C.sub.1-4烷基，羟基，硝基，氰基，C.sub.2-10酰氧基，NR.sub.23R.sub.24，其中R.sub.23和R.sub.24独立选择自氢，C.sub.1-6烷基，C.sub.2-7烷酰基或C.sub.1-6烷基磺酰基；或COR.sub.25，其中R.sub.25是羟基，C.sub.1-6烷氧基或NR.sub.26R.sub.27，其中R.sub.26和R.sub.27独立选择自氢或C.sub.1-6烷基；R.sub.4是氢，或C.sub.1-4烷基，苯基或苄基，其中每个在苯环中选择自卤素，CF.sub.3，C.sub.1-4烷氧基或C.sub.1-4烷基并附加在氮原子1或2处；而R.sub.x是C.sub.1-6烷基，卤素，硝基，NR.sub.18R.sub.19，其中R.sub.18和R.sub.19独立选择自氢，C.sub.1-6烷基或C.sub.2-7烷酰基，腈，COOH，CONH.sub.2；苯或苄，可选择地被一或两个卤素，硝基，C.sub.1-6烷氧基，羟基，C.sub.2-7烷酰氧基，NR.sub.18R.sub.19，C.sub.1-6烷基，CF.sub.3，CN取代；噻吩基，呋喃基或吡咯基，可选地N-取代C.sub.1-6烷基，但R.sub.1为氢且R.sub.2和R.sub.x为甲基时，R.sub.0和R.sub.3不能同时为氢，该化合物对于治疗炎症或过敏症状是有用的。
• 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.

  化合物的化学式(I)及其药用盐：其中：R.sub.1是氢、C.sub.1-6烷基或苯基，可以选择性地被卤素、CF.sub.3、C.sub.1-4烷氧基或C.sub.1-4烷基取代；R.sub.2是氢或C.sub.1-6烷基；R.sub.3是羟基、硝基、氰基、C.sub.2-10酰氧基、NR.sub.6 R.sub.7，其中R.sub.6和R.sub.7分别独立地选择自氢、C.sub.1-6烷基、C.sub.2-7烷酰基或C.sub.1-6烷基磺酰基；或COR.sub.8，其中R.sub.8是羟基、C.sub.1-6烷氧基或NR.sub.9 R.sub.10，其中R.sub.9和R.sub.10分别独立地选择自氢或C.sub.1-6烷基；R.sub.4是氢、卤素、CF.sub.3、C.sub.1-4烷氧基、C.sub.1-4烷基或R.sub.3中列出的任何基团；R.sub.5是氢、C.sub.1-4烷基或苄基，苄基可以在苯环上选择性地被卤素、CF.sub.3、C.sub.1-4烷氧基或C.sub.1-4烷基取代，并且连接在氮原子1或2处，具有抗炎和/或抗过敏活性，以及它们作为药物的用途。