2-(3-苯基-1H-吡唑-4-基)异吲哚-1,3-二酮 | 216854-27-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 2-(3-苯基-1H-吡唑-4-基)异吲哚-1,3-二酮
• 英文名称: 2-(3-phenyl-1H-pyrazol-4-yl)isoindoline-1,3-dione
• 英文别名: 2-(3-phenyl-1H-pyrazol-4-yl)-2,3-dihydro-1H-isoindole-1,3-dione；2-(5-phenyl-1H-pyrazol-4-yl)isoindole-1,3-dione
• CAS: 216854-27-2
• 化学式: C₁₇H₁₁N₃O₂
• 分子量: 289.293
• InChiKey: SMNKFQYISUTWKQ-UHFFFAOYSA-N

物化性质

• 沸点：
  567.1±52.0 °C(Predicted)
• 密度：
  1.420±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  66.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(3-苯基-1H-吡唑-4-基)异吲哚-1,3-二酮 在 2-甲基苯磺酸 、 肼 、 三氯氧磷 作用下， 以 二苯醚 、 乙醇 、 苯 为溶剂， 生成
  参考文献：
  名称：

  Synthesis of 3-phenylpyrazolo[4,3-b]pyridines via a convenient synthesis of 4-amino-3-arylpyrazoles and SAR of corticotropin-Releasing factor receptor type-1 antagonists

  摘要：

  3-Phenylpyrazolo[4,3-b]pyridines were synthesized via a cyclization of 4-amino-3-phenylpyrazoles 11-13 with ethyl acetoacetate. These compounds were found to be potent CRF1 antagonists. The 2-alkylpyrazolo[4,3-b]pyridines were more polar but less active than the corresponding 1-alkyl-isomers. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00621-8
• 作为产物：
  描述：

  2-[(1Z)-1-(dimethylamino)-3-oxo-3-phenylprop-1-en-2-yl]-2,3-dihydro-1H-isoindole-1,3-dione 在 盐酸肼 作用下， 以 乙醇 为溶剂， 生成 2-(3-苯基-1H-吡唑-4-基)异吲哚-1,3-二酮
  参考文献：
  名称：

  Synthesis of 3-phenylpyrazolo[4,3-b]pyridines via a convenient synthesis of 4-amino-3-arylpyrazoles and SAR of corticotropin-Releasing factor receptor type-1 antagonists

  摘要：

  3-Phenylpyrazolo[4,3-b]pyridines were synthesized via a cyclization of 4-amino-3-phenylpyrazoles 11-13 with ethyl acetoacetate. These compounds were found to be potent CRF1 antagonists. The 2-alkylpyrazolo[4,3-b]pyridines were more polar but less active than the corresponding 1-alkyl-isomers. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00621-8

文献信息

• [EN] HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF<br/>[FR] COMPOSÉS AMINO-PYRIDINE SUBSTITUÉS HÉTÉROCYCLIQUES ET LEURS PROCÉDÉS D'UTILISATION
  申请人：EPIZYME INC

  公开号：WO2016044666A1

  公开（公告）日：2016-03-24

  The present disclosure relates to heterocycle substituted amino-pyridine compounds. The present disclosure also relates to pharmaceutical compositions containing these compounds and methods of treating cancer by administering these compounds and pharmaceutical compositions to subjects in need thereof. The present disclosure also relates to the use of such compounds for research or other non-therapeutic purposes.

  本公开涉及杂环取代的氨基吡啶化合物。本公开还涉及含有这些化合物的药物组合物，以及通过将这些化合物和药物组合物用于需要的受试者来治疗癌症的方法。本公开还涉及将这些化合物用于研究或其他非治疗目的的用途。
• A convenient one-pot synthesis of 4-amino-3-arylpyrazoles from α-phthaloylaminoacetophenones
  作者：Chen Chen、Keith Wilcoxen、James R. McCarthy

  DOI：10.1016/s0040-4039(98)01776-6

  日期：1998.11

  Condensation of alpha-phthaloylaminoacetophenones 1a-c with N,N-dimethylformamide dimethyl acetal afforded the novel enamines 3a-c. Cyclization of 3 with hydrazine, alkylhydrazine or phenylhydrazine salts (4a-d) gave 4-phthaloylamino-3-arylpyrazoles 7-9 in high yields. Deprotection of 7-9 was accomplished with hydrazine to provide 4-amino-3-arylpyrazoles 5 in good yields. (C) 1998 Elsevier Science Ltd. All rights reserved.
• HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF
  申请人：Epizyme, Inc.

  公开号：EP3194377A1

  公开（公告）日：2017-07-26