7-Methoxy-N-[(2-methoxyphenyl)methyl]-1-[2-(4-morpholinyl)ethyl]-1H-indazole-3-carboxamide | 354572-11-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 英文名称: 7-Methoxy-N-[(2-methoxyphenyl)methyl]-1-[2-(4-morpholinyl)ethyl]-1H-indazole-3-carboxamide
• 英文别名: 7-Methoxy-1-(2-morpholin-4-yl-ethyl)-1H-indazole-3-carboxylic acid 2-methoxy-benzylamide；7-methoxy-N-[(2-methoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
• CAS: 354572-11-5
• 化学式: C₂₃H₂₈N₄O₄
• 分子量: 424.5
• InChiKey: OMRMTIYZBXTTOP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  77.8
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-(2-氯乙基)吗啉 在 sodium hydroxide 、 sodium hydride 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 32.0h， 生成 7-Methoxy-N-[(2-methoxyphenyl)methyl]-1-[2-(4-morpholinyl)ethyl]-1H-indazole-3-carboxamide
  参考文献：
  名称：

  合理设计和合成口服活性吲哚并吡啶酮，作为具有消炎作用的新型构象受限大麻素配体。

  摘要：

  基于提出的生物活性酰胺构象，已经合理地设计和合成了一系列独特的吲唑和吡啶并吲哚酮，作为新型大麻素配体。这导致发现新的吲哚并吡啶酮3a是一种构象受限的大麻素配体，对CB2受体显示出高亲和力（K（i）（CB2）= 1.0 nM），并且在体内小鼠炎症中口服给药时具有抗炎特性。模型。

  DOI：

  10.1021/jm020329q

文献信息

• Cannabinoid receptor modulators, their processes of preparation, and use of cannabinoid receptor modulators for treating respiratory and non-respiratory diseases
  申请人：——

  公开号：US20020119972A1

  公开（公告）日：2002-08-29

  Use of a compound for treating a respiratory disease in a mammal wherein the compound is a cannabinoid receptor modulator is disclosed. Compounds useful as cannabinoid receptor modulators for treating respiratory and non-respiratory leukocyte-activation associated diseases comprise compounds of formula (I), 1 in which A and B are nitrogen or carbon, provided only one of A and B is nitrogen; and R 1 -R 6 are as defined in the specification, wherein R 2 with R 5 may form a ring, and/or two R 4 groups may form a six-membered aryl or heteroaryl ring, optionally having a substituent R 6 forming a ring with R 3 .

  公开了一种用于治疗哺乳动物呼吸道疾病的化合物，其中该化合物是大麻素受体调节剂。用作治疗呼吸道和非呼吸道白细胞活化相关疾病的大麻素受体调节剂的化合物包括式(I)的化合物，其中A和B是氮或碳，只要A和B中的一个是氮；R1-R6如规范中定义，其中R2和R5可以形成一个环，和/或两个R4基团可以形成一个六元芳基或杂环芳基环，可能有一个取代基R6和R3形成一个环。
• CANNABINOID RECEPTOR MODULATORS, THEIR PROCESSES OF PREPARATION, AND USE OF CANNABINOID RECEPTOR MODULATORS FOR TREATING RESPIRATORY AND NON-RESPIRATORY DISEASES
  申请人：Bristol-Myers Squibb Co.

  公开号：EP1254115A2

  公开（公告）日：2002-11-06
• US6653304B2
  申请人：——

  公开号：US6653304B2

  公开（公告）日：2003-11-25
• [EN] CANNABINOID RECEPTOR MODULATORS, THEIR PROCESSES OF PREPARATION, AND USE OF CANNABINOID RECEPTOR MODULATORS FOR TREATING RESPIRATORY AND NON-RESPIRATORY DISEASES<br/>[FR] MODULATEURS DE RECEPTEURS AUX CANNABINOIDES, LEURS PROCEDES DE PREPARATION ET UTILISATIONS DE MODULATEURS DE RECEPTEURS AUX CANNABINOIDES POUR LE TRAITEMENT DE MALADIES RESPIRATOIRES ET NON RESPIRATOIRES
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2001058869A2

  公开（公告）日：2001-08-16

  Use of a compound for treating a respiratory disease in a mammal wherein the compound is a cannabinoid receptor modulator is disclosed. Compounds useful as cannabinoid receptor modulators for treating respiratory and non-respiratory leukocyte-activation associated diseases comprise compounds of formula (I), in which A and B are nitrogen or carbon, provided only one of A and B is nitrogen; and R1-R6 are as defined in the specification, wherein R2 with R5 may form a ring, and/or two R4 groups may form a six-membered aryl or heteroaryl ring, optionally having a substituent R6 forming a ring with R3.
• Rational Design and Synthesis of an Orally Active Indolopyridone as a Novel Conformationally Constrained Cannabinoid Ligand Possessing Antiinflammatory Properties
  作者：Stephen T. Wrobleski、Ping Chen、John Hynes,、Shuqun Lin、Derek J. Norris、Chennagiri R. Pandit、Steven Spergel、Hong Wu、John S. Tokarski、Xiaorong Chen、Kathleen M. Gillooly、Peter A. Kiener、Kim W. McIntyre、Vina Patil-koota、David J. Shuster、Lori A. Turk、Guchen Yang、Katerina Leftheris

  DOI：10.1021/jm020329q

  日期：2003.5.1

  rationally designed and synthesized as novel classes of cannabinoid ligands based on a proposed bioactive amide conformation. This has led to the discovery of the novel indolopyridone 3a as a conformationally constrained cannabinoid ligand that displays high affinity for the CB2 receptor (K(i)(CB2) = 1.0 nM) and possesses antiinflammatory properties when administered orally in an in vivo murine inflammation

  基于提出的生物活性酰胺构象，已经合理地设计和合成了一系列独特的吲唑和吡啶并吲哚酮，作为新型大麻素配体。这导致发现新的吲哚并吡啶酮3a是一种构象受限的大麻素配体，对CB2受体显示出高亲和力（K（i）（CB2）= 1.0 nM），并且在体内小鼠炎症中口服给药时具有抗炎特性。模型。