1-benzyl-4,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile | 59661-43-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 英文名称: 1-benzyl-4,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
• 英文别名: 1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 4,6-dimethyl-1-(phenylmethyl)-；1-benzyl-4,6-dimethylpyrrolo[2,3-b]pyridine-3-carbonitrile
• CAS: 59661-43-7
• 化学式: C₁₇H₁₅N₃
• 分子量: 261.326
• InChiKey: DDROWKCGPNKEGM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  41.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-amino-1-benzyl-4-cyanopyrrole 、 乙酰丙酮 、 盐酸 生成 1-benzyl-4,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
  参考文献：
  名称：

  BRODRICK A.; WIBBERLEY D. G., J. CHEM. SOC. PERKIN TRANS. PART 1, , 1975, NO 19, 1910-1913

  摘要：

  DOI：

文献信息

• Pyrrolopyridine derivative and use thereof
  申请人：Matsumoto Takahiro

  公开号：US20060167038A1

  公开（公告）日：2006-07-27

  A novel pyrrolopyridine derivative which is a compound represented by the formula wherein Ring A represents an optionally substituted pyridine ring; X represents an electron-attracting group; Y represents an optionally substituted divalent C 1-6 chain hydrocarbon group; R 1 represents an optionally substituted hydrocarbon group; and R 2 and R 3 each independently represents hydrogen, an optionally substituted hydrocarbon group or an optionally-substituted heterocyclic group, or R 2 and R 3 may form an optionally substituted ring in cooperation with the adjacent nitrogen atom, or a salt of the compound. The pyrrolopyridine derivative has vanilloid receptor agonist activity and is useful as medicines such as a preventive/therapeutic agent and analgesic for overactive bladder.

  一种新的吡咯吡啶衍生物，该化合物由下式表示：其中环A代表可选取代的吡啶环；X代表电子吸引基团；Y代表可选取代的二价C1-6链烃基团；R1代表可选取代的烃基团；R2和R3各自独立地代表氢、可选取代的烃基团或可选取代的杂环基团，或者R2和R3可以与相邻的氮原子协同形成可选取代的环；或该化合物的盐。该吡咯吡啶衍生物具有vanilloid受体激动剂活性，并且可用作预防/治疗剂和用于过度活跃膀胱的镇痛剂等药物。
• PYRROLOPYRIDINE DERIVATIVE AND USE THEREOF
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP1535922A1

  公开（公告）日：2005-06-01

  A novel pyrrolopyridine derivative which is a compound represented by the formula    wherein Ring A represents an optionally substituted pyridine ring; X represents an electron-attracting group; Y represents an optionally substituted divalent C1-6 chain hydrocarbon group; R1 represents an optionally substituted hydrocarbon group; and R2 and R3 each independently represents hydrogen, an optionally substituted hydrocarbon group or an optionally substituted heterocyclic group, or R2 and R3 may form an optionally substituted ring in cooperation with the adjacent nitrogen atom, or a salt of the compound. The pyrrolopyridine derivative has vanilloid receptor agonist activity and is useful as medicines such as a preventive/therapeutic agent and analgesic for overactive bladder.

  一种新型吡咯并吡啶衍生物，它是由式表示的化合物 其中环 A 代表任选取代的吡啶环；X 代表引电子基团；Y 代表任选取代的二价 C1-6 链烃基团；R1 代表任选取代的烃基团；R2 和 R3 各自独立地代表氢、任选取代的烃基团或任选取代的杂环基团，或 R2 和 R3 可与邻近的氮原子配合形成任选取代的环，或该化合物的盐。吡咯并吡啶衍生物具有类香草素受体激动剂活性，可用作药物，如膀胱过度活动症的预防/治疗剂和镇痛剂。
• US7582651B2
  申请人：——

  公开号：US7582651B2

  公开（公告）日：2009-09-01
• BRODRICK A.; WIBBERLEY D. G., J. CHEM. SOC. PERKIN TRANS. PART 1, <JCPK-BH>, 1975, NO 19, 1910-1913
  作者：BRODRICK A.、 WIBBERLEY D. G.

  DOI：——

  日期：——