4-氨基-1H-吡唑并[3,4-B]吡啶 | 49834-62-0

• 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: 4-氨基-1H-吡唑并[3,4-B]吡啶
• 中文别名: 1H-吡唑[3,4-b]吡啶-4-胺；1H-吡唑并[3,4-b]吡啶-4-胺
• 英文名称: 4-Amino-pyrazolo<3,4-b>pyridin
• 英文别名: 1(2)H-pyrazolo[3,4-b]pyridin-4-ylamine；1H-Pyrazolo[3,4-b]pyridin-4-amine
• CAS: 49834-62-0
• 化学式: C₆H₆N₄
• mdl: MFCD10699402
• 分子量: 134.14
• InChiKey: ROGKJJGNQJKPFJ-UHFFFAOYSA-N

物化性质

• 沸点：
  199℃
• 密度：
  1.61
• 闪点：
  74℃

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 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：
  67.6
• 氢给体数：
  2
• 氢受体数：
  3

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：

  4-氨基-1H-吡唑并[3,4-B]吡啶 在 碘 、 potassium hydroxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 以52%的产率得到3-iodo-1H-pyrazolo[3,4-b]pyridin-4-amine
  参考文献：
  名称：

  Discovery of pyrazolopyrimidine derivatives as novel inhibitors of ataxia telangiectasia and rad3 related protein (ATR)

  摘要：

  The ATR pathway is a critical mediator of the replication stress response in cells. In aberrantly proliferating cancer cells, this pathway can help maintain sufficient genomic integrity for cancer cell progression. Herein we describe the discovery of 19, a pyrazolopyrimidine-containing inhibitor of ATR via a strategic repurposing of compounds targeting PI3K. (C) 2017 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2017.01.045
• 作为产物：
  描述：

  3-iodo-N,N-dimethyl-1H-pyrazolo[3,4-b]pyridin-4-amine 、 sodium;hydride 在 水 、 乙酸乙酯 、 Sodium sulfate-III 、 crude product 、 3-iodo-N,N-dimethyl-14(2-(trimethylsilyl)ethoxy)methyl 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.5h， 以to give 3-iodo-N,N-dimethyl-14(2-(trimethylsilyl)ethoxy)methyl)-1H-pyrazolo[3,4-b]pyridin-4-amine (630 mg, 40% over two steps)的产率得到4-氨基-1H-吡唑并[3,4-B]吡啶
  参考文献：
  名称：

  CDK Modulators

  摘要：

  根据公式I的化合物：或其药学上可接受的盐，其中R1，R3，A，B和D如规范中定义;其制药组合物以及使用方法。

  公开号：

  US20110201599A1

文献信息

• [EN] ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS<br/>[FR] MODULATEURS ALLOSTÉRIQUES DES RÉCEPTEURS MÉTABOTROPIQUES DU GLUTAMATE
  申请人：MERCK SHARP & DOHME

  公开号：WO2013060029A1

  公开（公告）日：2013-05-02

  Formula (I), and salts thereof, wherein R1, RA2, RA3 and RA4, are defined herein, which have properties for positive allosteric modulation of mGluR-4 receptor sites. Also described are pharmaceutical formulations comprising the compounds of Formula (I) or their salts, and methods of treating Parkinson's disease and related disorders using the same.

  公式（I）及其盐，其中R1、RA2、RA3和RA4在此处定义，具有对mGluR-4受体位点进行正向变构的特性。还描述了包含公式（I）化合物或其盐的药物配方，以及使用它们治疗帕金森病和相关疾病的方法。
• [EN] PYRAZOLOPYRIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE<br/>[FR] COMPOSÉS INHIBITEURS DE PI3K DE TYPE PYRAZOLOPYRIDINE ET LEURS PROCÉDÉS D'UTILISATION
  申请人：GENENTECH INC

  公开号：WO2010059788A1

  公开（公告）日：2010-05-27

  Compounds of Formula (I), and including stereoisomers, geometric isomers, tautomers, solvates, metabolites and pharmaceutically acceptable salts thereof, are useful for inhibiting lipid kinases including p110 alpha and other isoforms of PI3K, and for treating disorders such as cancer or inflammation mediated by lipid kinases. Methods of using compounds of Formula (I) for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions, are disclosed.

  公式(I)的化合物，包括立体异构体、几何异构体、互变异构体、溶剂合物、代谢产物及其药用盐，用于抑制脂质激酶包括p110α和PI3K的其他同系物，并用于治疗由脂质激酶介导的癌症或炎症等疾病。公开了使用公式(I)的化合物在哺乳动物细胞中进行体外、体内和体内诊断、预防或治疗此类疾病，或相关病理状况的方法。
• N-heterocyclic substituted benzamide derivatives with antihypertensive activity
  申请人：Mitsubishi Pharma Corporation

  公开号：EP1195372A1

  公开（公告）日：2002-04-10

  Benzamide compounds of the formula wherein each symbol is as defined in the specification, isomers thereof and pharmaceutically acceptable acid addition salts thereof. Pharmaceutical compositions comprising a therapeutically effective amount of this compound and a pharmaceutically acceptable additive, and therapeutic agents for hypertension, therapeutic agents for angina pectoris, therapeutic agent for asthma, therapeutic agents for renal and peripheral circulatory disturbances and inhibitor of cerebral vasospasm, which comprise this compound. The compound of the present invention has strong smooth muscle relaxing action, and shows hypotensive action and cerebral • coronary vasodilating action like conventional calcium antagonists, as well as long-lasting renal and peripheral circulation improving action. Unlike calcium antagonists, it permits oral administration to suppress vascular contraction caused by various agonists, and is useful as a strong and long-acting agent for prophylaxis and treatment of circulatory diseases in coronary, cerebral, renal and peripheral arteries, as a therapeutic agent for hypertension, angina pectoris, and renal and peripheral circulation disorder, an inhibitor of cerebral vasospasm and the like. Moreover, the compound of the present invention is useful as a therapeutic agent for asthma.

  苯甲酰胺化合物的化学式如规范中所定义的每个符号，其异构体和药学上可接受的酸盐。包括该化合物的治疗有效量和药学上可接受的添加剂的药物组合物，以及治疗高血压、心绞痛、哮喘、肾脏和外周循环障碍以及脑血管痉挛抑制剂的治疗剂，其中包括该化合物。本发明的化合物具有强大的平滑肌松弛作用，表现出类似于传统钙拮抗剂的降压作用和脑冠脉扩张作用，以及持久的肾脏和外周循环改善作用。与钙拮抗剂不同，它允许口服给药以抑制各种激动剂引起的血管收缩，并可用作冠状动脉、脑部、肾脏和外周动脉循环疾病的预防和治疗的强效长效药物，作为治疗高血压、心绞痛、肾脏和外周循环障碍的治疗剂，脑血管痉挛抑制剂等。此外，本发明的化合物还可用作哮喘的治疗剂。
• BENZAMIDE COMPOUND AND MEDICINAL USE THEREOF
  申请人：YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD.

  公开号：EP0757038A1

  公开（公告）日：1997-02-05

  Benzamide compounds of the formula wherein each symbol is as defined in the specification, isomers thereof and pharmaceutically acceptable acid addition salts thereof. Pharmaceutical compositions comprising a therapeutically effective amount of this compound and a pharmaceutically acceptable additive, and therapeutic agents for hypertension, therapeutic agents for angina pectoris, therapeutic agent for asthma, therapeutic agents for renal and peripheral circulatory disturbances and inhibitor of cerebral vasospasm, which comprise this compound. The compound of the present invention has strong smooth muscle relaxing action, and shows hypotensive action and cerebral · coronary vasodilating action like conventional calcium antagonists, as well as long-lasting renal and peripheral circulation improving action. Unlike calcium antagonists, it permits oral administration to suppress vascular contraction caused by various agonists, and is useful as a strong and long-acting agent for prophylaxis and treatment of circulatory diseases in coronary, cerebral, renal and peripheral arteries, as a therapeutic agent for hypertension, angina pectoris, and renal and peripheral circulation disorder, an inhibitor of cerebral vasospasm and the like. Moreover, the compound of the present invention is useful as a therapeutic agent for asthma.

  式中的苯甲酰胺化合物 其中各符号如说明书中所定义，其异构体及其药学上可接受的酸加成盐。包含治疗有效量的本发明化合物和药学上可接受的添加剂的药物组合物，以及包含本发明化合物的高血压治疗剂、心绞痛治疗剂、哮喘治疗剂、肾脏和外周循环障碍治疗剂和脑血管痉挛抑制剂。 本发明的化合物具有很强的平滑肌松弛作用，与传统的钙拮抗剂一样具有降血压作用和脑-冠状动脉血管扩张作用，以及持久的改善肾脏和外周循环的作用。与钙拮抗剂不同的是，它可以通过口服来抑制各种激动剂引起的血管收缩，是一种强效、长效的预防和治疗冠状动脉、脑动脉、肾动脉和外周动脉循环疾病的药物，也是高血压、心绞痛、肾脏和外周循环障碍的治疗药物，还是脑血管痉挛的抑制剂等。此外，本发明的化合物还可用作哮喘的治疗剂。
• Substituted benzamide compounds with antihypertensive activity
  申请人：Mitsubishi Pharma Corporation

  公开号：EP1391454A1

  公开（公告）日：2004-02-25

  Benzamide compounds of the formula wherein each symbol is as defined in the specification, isomers thereof and pharmaceutically acceptable acid addition salts thereof. Pharmaceutical compositions comprising a therapeutically effective amount of this compound and a pharmaceutically acceptable additive, and therapeutic agents for hypertension, therapeutic agents for angina pectoris, therapeutic agent for asthma, therapeutic agents for renal and peripheral circulatory disturbances and inhibitor of cerebral vasospasm, which comprise this compound. The compound of the present invention has strong smooth muscle relaxing action, and shows hypotensive action and cerebral·coronary vasodilating action like conventional calcium antagonists, as well as long-lasting renal and peripheral circulation improving action. Unlike calcium antagonists, it permits oral administration to suppress vascular contraction caused by various agonists, and is useful as a strong and long-acting agent for prophylaxis and treatment of circulatory diseases in coronary, cerebral, renal and peripheral arteries, as a therapeutic agent for hypertension, angina pectoris, and renal and peripheral circulation disorder, an inhibitor of cerebral vasospasm and the like. Moreover, the compound of the present invention is useful as a therapeutic agent for asthma.

  式中的苯甲酰胺化合物 其中各符号如说明书中所定义，其异构体及其药学上可接受的酸加成盐。包含治疗有效量的本发明化合物和药学上可接受的添加剂的药物组合物，以及包含本发明化合物的高血压治疗剂、心绞痛治疗剂、哮喘治疗剂、肾脏和外周循环障碍治疗剂和脑血管痉挛抑制剂。 本发明的化合物具有很强的平滑肌松弛作用，与传统的钙拮抗剂一样具有降血压作用和脑-冠状动脉血管扩张作用，以及持久的改善肾脏和外周循环的作用。 与钙拮抗剂不同的是，它可以通过口服来抑制各种激动剂引起的血管收缩，是一种强效、长效的预防和治疗冠状动脉、脑动脉、肾动脉和外周动脉循环系统疾病的药物，也可作为高血压、心绞痛、肾脏和外周循环障碍的治疗药物、脑血管痉挛的抑制剂等。此外，本发明的化合物还可用作哮喘的治疗剂。