(4-Methyl-3,4-dihydro-2H-quinoxalin-1-yl)[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone | 1000772-58-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: (4-Methyl-3,4-dihydro-2H-quinoxalin-1-yl)[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone
• 英文别名: (3-(1H-pyrazol-4-yl)pyrrolidin-1-yl)(4-methyl-3,4-dihydroquinoxalin-1(2H)-yl)methanone；(4-methyl-2,3-dihydroquinoxalin-1-yl)-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone
• CAS: 1000772-58-6
• 化学式: C₁₇H₂₁N₅O
• 分子量: 311.387
• InChiKey: BZXHBXVWXIMYMX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  23
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  55.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  在 三乙酰氧基硼氢化钠 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 (4-Methyl-3,4-dihydro-2H-quinoxalin-1-yl)[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone
  参考文献：
  名称：

  Pyrrolidine-pyrazole ureas as potent and selective inhibitors of 11β-hydroxysteroid-dehydrogenase type 1

  摘要：

  A High Throughput Screening campaign allowed the identification of a novel class of ureas as 11 beta-HSD1 inhibitors. Rational chemical optimization provided potent and selective inhibitors of both human and murine 11 beta-HSD1 with an appropriate ADME profile and ex vivo activity in target tissues. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.02.111

文献信息

• DERIVATIVES OF UREAS OF PIPERIDINE OR PYRROLIDINE, THEIR PREPARATION AND THEIR THERAPEUTICAL USE
  申请人：BRAUN Alain

  公开号：US20090176775A1

  公开（公告）日：2009-07-09

  The present invention is related to a compound of formula (I): wherein i, j, n, o, p, q, r, R 1a , R 1b , R 1c , R 1d , R 2a , R 2b , R 2c , R 2d , R 3a , R 3b and R 4 are as defined herein, or an addition salt with an acid thereof, or a hydrate or solvate thereof, its preparation, pharmaceutical composition, and uses for treating a disease in which the enzyme 11β-HSD1 is involved.

  本发明涉及一种具有以下式（I）的化合物： 其中i、j、n、o、p、q、r、R1a、R1b、R1c、R1d、R2a、R2b、R2c、R2d、R3a、R3b和R4如本文所定义，或其与酸的加合盐，或其水合物或溶剂合物，其制备、药物组合物以及用于治疗11β-HSD1酶参与的疾病的用途。
• DÉRIVÉS D'URÉES DE PIPERIDINE OU PYRROLIDINE, LEUR PRÉPARATION ET LEUR APPLICATION EN THÉRAPEUTIQUE
  申请人：Sanofi-Aventis

  公开号：EP2044057A2

  公开（公告）日：2009-04-08
• US7947834B2
  申请人：——

  公开号：US7947834B2

  公开（公告）日：2011-05-24
• [EN] DERIVATIVES OF UREAS OF PIPERIDINE OR PYRROLIDINE, THEIR PREPARATION AND THEIR THERAPEUTICAL USE<br/>[FR] DÉRIVÉS D'URÉES DE PIPERIDINE OU PYRROLIDINE, LEUR PRÉPARATION ET LEUR APPLICATION EN THÉRAPEUTIQUE
  申请人：SANOFI AVENTIS

  公开号：WO2008000950A2

  公开（公告）日：2008-01-03

  [EN] The invention concerns compounds corresponding to formula (I) in which R_1a, R_1b, R_1c, R_1d, R_2a, R_2b, R_2c, R_2d, R_3a, R_3b, R₄, n, i, j, o, p, q, r and X are as defined in the description. Preparation method and therapeutic use.
  [FR] L'invention concerne des composés répondant à la formule (I): dans laquelle R_1a, R_1b, R_1c, R_1d, R_2a, R_2b, R_2c, R_2d, R_3a, R_3b, R₄, n, i, j, o, p, q, r et X sont tels que définis dans la description. Procédé de préparation et application en thérapeutique.
• Pyrrolidine-pyrazole ureas as potent and selective inhibitors of 11β-hydroxysteroid-dehydrogenase type 1
  作者：Olivier Venier、Cécile Pascal、Alain Braun、Claudie Namane、Patrick Mougenot、Olivier Crespin、François Pacquet、Cécile Mougenot、Catherine Monseau、Bénédicte Onofri、Rommel Dadji-Faïhun、Céline Leger、Majdi Ben-Hassine、Thao Van-Pham、Jean-Luc Ragot、Christophe Philippo、Stefan Güssregen、Christian Engel、Géraldine Farjot、Lionel Noah、Karima Maniani、Eric Nicolaï

  DOI：10.1016/j.bmcl.2011.02.111

  日期：2011.4

  A High Throughput Screening campaign allowed the identification of a novel class of ureas as 11 beta-HSD1 inhibitors. Rational chemical optimization provided potent and selective inhibitors of both human and murine 11 beta-HSD1 with an appropriate ADME profile and ex vivo activity in target tissues. (C) 2011 Elsevier Ltd. All rights reserved.