7-chloro-1-phenyl-4,5-dihydro-1H-benzo[g]indazole-3-carboxylic acid | 56457-18-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 7-chloro-1-phenyl-4,5-dihydro-1H-benzo[g]indazole-3-carboxylic acid
• 英文别名: 7-chloro-1-phenyl-4,5-dihydro-1H-benzo[g]indazole-3-carboxylic acid；7-chloro-1-phenyl-4,5-dihydro-1H-benz[g]indazole-3-carboxylic acid；7-chloro-1-phenyl-4,5-dihydrobenzo[g]indazole-3-carboxylic acid
• CAS: 56457-18-2
• 化学式: C₁₈H₁₃ClN₂O₂
• 分子量: 324.766
• InChiKey: VJLSDZDPSHBNAB-UHFFFAOYSA-N

物化性质

• 熔点：
  258 °C
• 沸点：
  550.4±50.0 °C(Predicted)
• 密度：
  1.42±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  55.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  7-chloro-1-phenyl-4,5-dihydro-1H-benzo[g]indazole-3-carboxylic acid 以41%的产率得到
  参考文献：
  名称：

  HAMILTON R. W., J. HETEROCYCL. CHEM. , 1976, 13, NO 3, 545-553

  摘要：

  DOI：
• 作为产物：
  描述：

  6-氯-3,4-二氢-2H-1-萘酮 在 氢氧化钾 、 sodium ethanolate 作用下， 以 甲醇 、 乙醇 为溶剂， 反应 5.5h， 生成 7-chloro-1-phenyl-4,5-dihydro-1H-benzo[g]indazole-3-carboxylic acid
  参考文献：
  名称：

  Tricyclic pyrazoles. Part 2: Synthesis and biological evaluation of novel 4,5-dihydro-1H-benzo[g]indazole-based ligands for cannabinoid receptors

  摘要：

  A series of 4,5-dihydro-1H-benzo[g]indazole-3-carboxamides (2a-k) as analogues of the previously reported CB2 ligands 6-chloro- and 6-methyl-1-(2',4'-dichlorophenyl)-N-piperidin-1-yl-1,4-dihydroindeno[1,2-c]pyrazole-3-carboxamides (1a,b) was synthesized and their affinity and selectivity towards CB1 and CB2 receptors were evaluated. Several of the new compounds (2a,b,c,d and i) exhibited CB1 affinity in the nanomolar range with moderate or negligible affinity towards CB2 receptors. Compounds 2a and c increased intestinal propulsion in mouse. Their pro-kinetic effects were reversed by the reference CB agonist CP-55,940. Consequently, in vivo CB1 antagonistic activity was highlighted for these compounds. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.02.032

文献信息

• Esters and amides of 4,5-dihydrobenz[g]indazole-3-carboxylic acids and
  申请人：G. D. Searle & Co.

  公开号：US03940418A1

  公开（公告）日：1976-02-24

  Aminoalkyl esters and amides of 4,5-dihydrobenz[g]indazole-3-carboxylic acids and related compounds are described herein. They are useful as anti-ulcer agents, anti-arrhythmic agents, anti-bacterial agents, anti-protozoal agents, anthelmintics, anti-fungal agents, anti-algal agents and anti-inflammatory agents. The compounds are prepared from the appropriate carboxylic acid, alkyl ester, or acid chloride.

  本文描述了4,5-二氢苯并[g]吲唑-3-羧酸的氨基烷基酯和酰胺以及相关化合物。它们可用作抗溃疡药、抗心律失常药、抗菌药、抗原虫药、驱虫药、抗真菌药、抗藻药和抗炎药。这些化合物是从适当的羧酸、烷基酯或酸氯制备而成的。
• COMBINATIONS COMPRISING AN HSP90 INHIBITOR AND A PHOPHODIESTERASE INHIBITOR FOR TREATING OR PREVENTING NEOPLASIA
  申请人：Pharmacia Corporation

  公开号：EP1682143A2

  公开（公告）日：2006-07-26
• US3940418A
  申请人：——

  公开号：US3940418A

  公开（公告）日：1976-02-24
• [EN] COMBINATIONS COMPRISING AN Hsp90 INHIBITOR AND A PHOPHODIESTERASE INHIBITOR FOR TREATING OR PREVENTING NEOPLASIA<br/>[FR] ASSOCIATION DE L'INHIBITEUR DE HSP90 ET DE L'INHIBITEUR DE LA PHOPHODIESTERASE DESTINEE A TRAITER OU PREVENIR LA NEOPLASIE
  申请人：PHARMACIA CORP

  公开号：WO2005041879A2

  公开（公告）日：2005-05-12

  A method for treating or preventing neoplasia or a neoplasia-related disorder in a subject is provided, the method comprising administering to the subject an effective amount of a combination comprising an Hsp90 inhibitor and a phosphodiesterase inhibitor, and optionally a Cox-2 inhibitor.
• [EN] TREATMENT OR PREVENTION OF NEOPLASIA BY USE OF AN Hsp90 INHIBITOR<br/>[FR] TRAITEMENT OU PREVENTION DE LA NEOPLASIE A L'AIDE D'UN INHIBITEUR DE LA PROTEINE HSP90
  申请人：PHARMACIA CORP

  公开号：WO2005044194A2

  公开（公告）日：2005-05-19

  A method for treating or preventing neoplasia or a neoplasia-related disorder in a subject is provided, the method comprising administering to the subject an effective amount of an Hsp90 inhibitor, or of a combination comprising an Hsp90 inhibitor and a Cox-2 inhibitor.