2-甲基-5-硝基吡咯并[2,3-B]吡啶 | 1190322-73-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 中文名称: 2-甲基-5-硝基吡咯并[2,3-B]吡啶
• 英文名称: 2-Methyl-5-nitro-1H-pyrrolo[2,3-B]pyridine
• CAS: 1190322-73-6
• 化学式: C₈H₇N₃O₂
• 分子量: 177.162
• InChiKey: IWFJRRNZXJEJGF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  74.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  2-甲基-5-硝基吡咯并[2,3-B]吡啶 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 23.0 ℃ 、101.33 kPa 条件下， 反应 3.0h， 以91%的产率得到2-甲基-1H-吡咯并[2,3-b]吡啶-5-胺
  参考文献：
  名称：

  Discovery and preclinical studies of 5-isopropyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (BMS-645737), an in vivo active potent VEGFR-2 inhibitor

  摘要：

  We report herein a series of substituted N-(1H-pyrrolo[2,3-b] pyridin-5-yl) pyrrolo[2,1-f][1,2,4] triazin-4-amines as inhibitors of vascular endothelial growth factor receptor-2 tyrosine kinase. Through structure-activity relationship studies, biochemical potency, pharmacokinetics, and kinase selectivity were optimized to afford BMS-645737 (13), a compound with good preclinical in vivo activity against human tumor xenograft models. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.03.057
• 作为产物：
  描述：

  乙酸异丙烯酯 、 2-氨基-3-溴-5-硝基吡啶 在 tris(dibenzylideneacetone)dipalladium (0) 三正丁基甲氧基锡 作用下， 以 甲苯 为溶剂， 反应 12.0h， 以98%的产率得到2-甲基-5-硝基吡咯并[2,3-B]吡啶
  参考文献：
  名称：

  Discovery and preclinical studies of 5-isopropyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (BMS-645737), an in vivo active potent VEGFR-2 inhibitor

  摘要：

  We report herein a series of substituted N-(1H-pyrrolo[2,3-b] pyridin-5-yl) pyrrolo[2,1-f][1,2,4] triazin-4-amines as inhibitors of vascular endothelial growth factor receptor-2 tyrosine kinase. Through structure-activity relationship studies, biochemical potency, pharmacokinetics, and kinase selectivity were optimized to afford BMS-645737 (13), a compound with good preclinical in vivo activity against human tumor xenograft models. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.03.057

文献信息

• [EN] ISOINDOLINE COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES<br/>[FR] COMPOSÉS D'ISOINDOLINE POUR LE TRAITEMENT D'UNE AMYOTROPHIE SPINALE ET AUTRES UTILISATIONS
  申请人：US HEALTH

  公开号：WO2009042907A1

  公开（公告）日：2009-04-02

  Disclosed is a compound of Formula (I) in which W and R1-R6 are defined herein. Also disclosed is a method of treating spinal muscular atrophy, as well as methods of using such compounds to increase SMN expression, increase EAAT2 expression, or increase the expression of a nucleic acid that encodes a translational stop codon introduced directly or indirectly by mutation or frameshift.

  公开的是一种化合物，其化学式为（I），其中W和R1-R6在此处被定义。还公开了一种治疗脊髓性肌萎缩症的方法，以及使用这种化合物增加SMN表达、增加EAAT2表达，或增加通过突变或移码直接或间接引入的编码翻译终止密码子的核酸表达的方法。
• Derivatives of Azaindoles as Inhibitors of Protein Kinases ABL and SRC
  申请人：Yasri Abdelaziz

  公开号：US20110312959A1

  公开（公告）日：2011-12-22

  The present invention relates to compounds of general formula I and use thereof as inhibitors of protein kinases AbI and Src and the method of production thereof. The present invention also relates to pharmaceutical compositions and medici-nal products comprising these compounds.

  本发明涉及一般式I的化合物及其作为蛋白激酶AbI和Src的抑制剂的用途，以及其生产方法。本发明还涉及包含这些化合物的制药组合物和药物产品。
• AZAINDOLE DERIVATIVES AS CFTR MODULATORS
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US20140024672A1

  公开（公告）日：2014-01-23

  The present invention relates to modulators of ATP-Binding Cassette (“ABC”) transporters or fragments thereof, including Cystic Fibrosis Transmembrane Conductance Regulator (“CFTR”), compositions thereof, and methods therewith. The present invention also relates to methods of treating ABC transporter mediated diseases using such modulators.

  本发明涉及ATP结合盒（“ABC”）转运蛋白或其片段的调节剂，包括囊性纤维化跨膜导电调节因子（“CFTR”），其组合物以及使用这些调节剂的方法。本发明还涉及使用这种调节剂治疗ABC转运蛋白介导的疾病的方法。
• ISOINDOLINE COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES
  申请人：The United States of America, as Represented by the Secretary, Department of Health and Human Services

  公开号：EP2215074A1

  公开（公告）日：2010-08-11
• DERIVATIVES OF AZAINDOLES AS INHIBITORS OF PROTEIN KINASES ABL AND SRC
  申请人：OriBase Pharma

  公开号：EP2396325B1

  公开（公告）日：2015-04-01