6-碘-1H-吡咯并[2,3-b]吡啶 | 189882-32-4

• 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: 6-碘-1H-吡咯并[2,3-b]吡啶
• 英文名称: 6-indolo-1H-pyrrolo[2,3-b]pyridine
• 英文别名: 6-iodo-1H-pyrrolo[2,3-b]pyridine
• CAS: 189882-32-4
• 化学式: C₇H₅IN₂
• mdl: MFCD06659672
• 分子量: 244.035
• InChiKey: MQMMRWCGPSEGFA-UHFFFAOYSA-N

物化性质

• 沸点：
  447.9±28.0 °C(Predicted)
• 密度：
  2.12±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  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：
  28.7
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  6-iodo-1-methoxycarbonyl-7-azaindole 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 反应 20.0h， 以95%的产率得到6-碘-1H-吡咯并[2,3-b]吡啶
  参考文献：
  名称：

  Synthesis and Biological Activity of 1H-Pyrrolo[2,3-b]pyridine Derivatives:  Correlation between Inhibitory Activity against the Fungus Causing Rice Blast and Ionization Potential

  摘要：

  Synthesis and biological activity of a variety of 3- and B-substituted 1H-pyrrolo[2,3-b]pyridine (7-azaindole) derivatives are described. Many of the synthesized 7-azaindoles exhibited considerable fungicidal activity toward Pyricularia oryzae, a fungus which causes rice blast, in vivo. When quantum parameters of the tested 7-azaindoles were evaluated by semiempirical molecular orbital calculations, a relationship was observed between the activity and the calculated ionization potentials of the 7-azaindole derivatives.

  DOI：

  10.1021/jf9607730

文献信息

• [EN] NOVEL HETEROCYCLIC COMPOUNDS USEFUL AS AURORA A SELECTIVE INHIBITORS<br/>[FR] NOUVEAUX COMPOSÉS HÉTÉROCYCLIQUES UTILES EN TANT QU'INHIBITEURS SÉLECTIFS D'AURORA A
  申请人：JACOBIO PHARMACEUTICALS CO LTD

  公开号：WO2021147974A1

  公开（公告）日：2021-07-29

  Provided are compounds of formula (I), or pharmaceutically acceptable salts thereof, which can be used for inhibiting the activity of Aurora A and treating cancer mediated by Aurora A.

  提供的是式（I）的化合物，或其药学上可接受的盐，可用于抑制Aurora A的活性并治疗由Aurora A介导的癌症。
• N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-D]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-D]PYRIMIDINES AS JANUS KINASE INHIBITORS
  申请人：Incyte Corporation

  公开号：EP2432555B1

  公开（公告）日：2014-04-30
• Synthesis and Biological Activity of 1<i>H</i>-Pyrrolo[2,3-<i>b</i>]pyridine Derivatives:  Correlation between Inhibitory Activity against the Fungus Causing Rice Blast and Ionization Potential
  作者：Satoshi Minakata、Takayuki Hamada、Mitsuo Komatsu、Hiroyuki Tsuboi、Hiroshige Kikuta、Yoshiki Ohshiro

  DOI：10.1021/jf9607730

  日期：1997.6.1

  Synthesis and biological activity of a variety of 3- and B-substituted 1H-pyrrolo[2,3-b]pyridine (7-azaindole) derivatives are described. Many of the synthesized 7-azaindoles exhibited considerable fungicidal activity toward Pyricularia oryzae, a fungus which causes rice blast, in vivo. When quantum parameters of the tested 7-azaindoles were evaluated by semiempirical molecular orbital calculations, a relationship was observed between the activity and the calculated ionization potentials of the 7-azaindole derivatives.