methyl 4-<(6-nitroindazol-2-yl)methyl>benzoate | 126848-47-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: methyl 4-<(6-nitroindazol-2-yl)methyl>benzoate
• 英文别名: Methyl 4-[(6-nitroindazol-2-yl)methyl]benzoate
• CAS: 126848-47-3
• 化学式: C₁₆H₁₃N₃O₄
• 分子量: 311.297
• InChiKey: KSEAZNWWYDJDQK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  89.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  6-硝基吲唑钠 、 4-溴甲基苯甲酸甲酯 生成 methyl 4-<(6-nitroindazol-2-yl)methyl>benzoate
  参考文献：
  名称：

  BROWN, FREDERICK J.;YEE, YING K.;CRONK, LAURA A.;HEBBEL, KEVIN C.;KRELL, +, J. MED. CHEM., 33,(1990) N, C. 1771-1781

  摘要：

  DOI：

文献信息

• Evolution of a series of peptidoleukotriene antagonists: synthesis and structure-activity relationships of 1,6-disubstituted indoles and indazoles
  作者：Frederick J. Brown、Ying K. Yee、Laura A. Cronk、Kevin C. Hebbel、Robert D. Krell、David W. Snyder

  DOI：10.1021/jm00168a036

  日期：1990.6

  A perception of structural similarities between two independent series of leukotriene antagonists (one emanating from FPL 55712 and one based upon the leukotrienes themselves) led to the discovery of a novel class of indole and indazole derived antagonists of peptidoleukotrienes. A systematic exploration of C-6 substituted 4-(indol-1-ylmethyl)-3-methoxybenzoic acids identified cyclopentylacetamide and cyclopentylurethane as preferred substituents. The corresponding indazoles were equipotent. These compounds are selective leukotriene antagonists with pKB values of 7.5-7.8 vs LTE4 on guinea pig trachea.
• BROWN, FREDERICK J.;YEE, YING K.;CRONK, LAURA A.;HEBBEL, KEVIN C.;KRELL, +, J. MED. CHEM., 33,(1990) N, C. 1771-1781
  作者：BROWN, FREDERICK J.、YEE, YING K.、CRONK, LAURA A.、HEBBEL, KEVIN C.、KRELL, +

  DOI：——

  日期：——
• [EN] CRYSTALLINE FORMS OF HISTONE DEACETYLASE INHIBITORS<br/>[FR] FORMES CRISTALLINES D'INHIBITEURS DE L'HISTONE DÉACÉTYLASE
  申请人：TAKEDA SAN DIEGO INC

  公开号：WO2008089436A2

  公开（公告）日：2008-07-24

  [EN] The application is related to polymorphs and salts of compounds having the formulae: Compound (I) N-(2-Aminophenyl)-4-((5,6-dimethoxy-2H-indazol-2-yl)methyl)benzamide Compound (II) 4-((6-Acetamido-2H-indazol-2-yl)methyl)-N-(2-aminophenyl)benzamide Compound (III) 1-(4-(2-Aminophenylcarbamoyl)benzyl)-N-ethyl-1H-pyrazole-4-carboxamide Also provided are novel methods for the preparation of the polymorphs of Compound (I), and kits and articles of manufacture of the compositions, and methods of using the compositions to treat various diseases.
  [FR] L'invention concerne des polymorphes et des sels de composés de formules : Composé I N-(2-aminophényl)-4-((5,6-diméthoxy-2H-indazol-2-yl)méthyl)benzamide Composé II 4-((6-acétamido-2H-indazol-2-yl)méthyl)-N-(2-aminophényl)benzamide Composé III 1-(4-(2-aminophénylcarbamoyl)benzyl)-N-éthyl-1H-pyrazole-4-carboxamide L'invention concerne également de nouveaux procédés de préparation des polymorphes du composé I, ainsi que des kits et des produits fabriqués à partir des compositions et des procédés d'utilisation des compositions pour traiter diverses maladies.