5-benzoylaminoanthra[1,9-cd]pyrazol-6-one | 67039-08-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 5-benzoylaminoanthra[1,9-cd]pyrazol-6-one
• 英文别名: 5-(Benzamido)-anthrapyrazolon；5-benzoylamino-1(2)H-dibenzo[cd,g]indazol-6-one；5-(benzoylamino)anthra[1,9cd]pyrazol-6(2H)-one；N-(8-oxo-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-10-yl)benzamide
• CAS: 67039-08-1
• 化学式: C₂₁H₁₃N₃O₂
• 分子量: 339.353
• InChiKey: POESIUVCXFTUSX-UHFFFAOYSA-N

物化性质

• 熔点：
  346-347 °C
• 沸点：
  545.9±38.0 °C(Predicted)
• 密度：
  1.479±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  26
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  74.8
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-benzoylaminoanthra[1,9-cd]pyrazol-6-one 生成 5,5'-bis-benzoylamino-2H,2'H-2,2'-ethane-1,2-diyl-bis-dibenzo[cd,g]indazol-6-one
  参考文献：
  名称：

  SINGH M. R.; SHAN K. H., INDIAN J. CHEM., 1978, B16, NO 2, 100-102

  摘要：

  DOI：
• 作为产物：
  描述：

  N-(4-氯-9,10-二氢-9,10-二氧代-1-蒽基)苯甲酰胺 在 吡啶 、 肼 作用下， 生成 5-benzoylaminoanthra[1,9-cd]pyrazol-6-one
  参考文献：
  名称：

  Akiyoshi; Tsuge, Kogyo Kagaku zasshi / Journal of the Society of Chemical Industry, 1954, vol. 57, p. 296

  摘要：

  DOI：

文献信息

• Methods for treating inflammatory conditions or inhibiting JNK
  申请人：——

  公开号：US20040072888A1

  公开（公告）日：2004-04-15

  This invention generally relates to methods for treating or preventing an inflammatory disease or disorder comprising administering to a patient in need thereof an effective amount of a Pyrazoloanthrone Derivative having the following structure: 1 or a pharmaceutically acceptable salt thereof, wherein R 1 and R 2 are as defined herein.

  本发明通常涉及治疗或预防炎症性疾病或紊乱的方法，包括向需要治疗的患者施用以下结构的吡唑酮衍生物的有效量：1或其药学上可接受的盐，其中R1和R2如此处所定义。
• Pyrazoloanthrone and derivatives thereof as JNK inhibitors and compositions and methods related thereto
  申请人：Signal Pharmaceuticals, LLC

  公开号：US07119114B1

  公开（公告）日：2006-10-10

  Compounds having activity as selective inhibitors of JNK are disclosed The compounds of this invention are pyrazoloanthrone and derivatives thereof having the following structure: wherein R1 and R2 are as defined herein. Such compounds have utility in the treatment of a wide range of conditions that are responsive to JNK inhibition. Thus, methods of treating such conditions are also disclosed, as are pharmaceutical compositions containing one or more compounds of the above compounds.

  本发明揭示了具有选择性抑制JNK活性的化合物。本发明的化合物是吡唑酮类及其衍生物，具有以下结构：其中R1和R2如本文所定义。这些化合物在治疗对JNK抑制有反应的广泛疾病方面具有实用价值。因此，本发明还揭示了治疗这些疾病的方法，以及含有上述化合物之一或多个的制药组合物。
• ——
  作者：N. T. Sokolyuk、L. P. Pisulina、A. I. V'yugin

  DOI：10.1023/a:1015363010795

  日期：——

  Heating of 5- and 7-chloro-6H-anthra[1,9-cd]pyrazol-6-ones in butylamine and aniline gives the corresponding peri-amino-substituted anthrapyrazole derivatives. Acylation of the latter occurs at the N-1 atom of the heterocyclic fragment to afford monoacyl derivatives having an ana-quinonimine structure.
• US7335676B2
  申请人：——

  公开号：US7335676B2

  公开（公告）日：2008-02-26
• [EN] METHODS FOR TREATING INFLAMMATORY CONDITIONS OR INHIBITING JNK<br/>[FR] METHODES DESTINEES A TRAITER DES AFFECTIONS INFLAMMATOIRES OU INHIBER LA JNK
  申请人：SIGNAL PHARM LLC

  公开号：WO2004084891A1

  公开（公告）日：2004-10-07

  This invention generally relates to methods for treating or preventing an inflammatory disease or disorder comprising administering to a patient in need thereof an effective amount of a Pyrazoloanthrone Derivative having the following structure: Formula (I), or a pharmaceutically acceptable salt thereof, wherein R1 and R2 are as defined herein.