3-(3-[(4-fluoro-benzoylamino)-methyl]-4-trifluoromethyl-phenyl)-1-[2-hydroxy-3-(1-oxo-2,8-diaza-spiro[4.5]dec-8-yl)-propyl]-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridine-5-carboxylic acid tert-butyl ester | 1048035-03-5

• 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: 3-(3-[(4-fluoro-benzoylamino)-methyl]-4-trifluoromethyl-phenyl)-1-[2-hydroxy-3-(1-oxo-2,8-diaza-spiro[4.5]dec-8-yl)-propyl]-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridine-5-carboxylic acid tert-butyl ester
• 英文别名: 3-{3-[(4-Fluoro-benzoylamino)-methyl]-4-trifluoromethyl-phenyl}-1-[2-hydroxy-3-(1-oxo-2,8-diaza-spiro[4.5]dec-8-yl)-propyl]-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridine-5-carboxylic acid tert-butyl ester；tert-butyl 3-[3-[[(4-fluorobenzoyl)amino]methyl]-4-(trifluoromethyl)phenyl]-1-[2-hydroxy-3-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
• CAS: 1048035-03-5
• 化学式: C₃₇H₄₄F₄N₆O₅
• 分子量: 728.787
• InChiKey: MTVLRQIMYKIGFF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  52
• 可旋转键数：
  10
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  129
• 氢给体数：
  3
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  3-(3-[(4-fluoro-benzoylamino)-methyl]-4-trifluoromethyl-phenyl)-1-[2-hydroxy-3-(1-oxo-2,8-diaza-spiro[4.5]dec-8-yl)-propyl]-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridine-5-carboxylic acid tert-butyl ester 在 甲醇 、 lithium hydroxide 、 水 、 三氟乙酸 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 6.5h， 生成 N-(5-(5-acetyl-1-[2-hydroxy-3-(1-oxo-2,8-diaza-spiro[4.5]dec-8-yl)-propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-trifluoromethylbenzyl)-4-fluoro-benzamide
  参考文献：
  名称：

  WO2008/100620

  摘要：

  公开号：

文献信息

• BICYCLIC AMINOPROPYL TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S
  申请人：Allen Darin

  公开号：US20080269241A1

  公开（公告）日：2008-10-30

  Bicyclic aminopropyl tetrahydro-pyrazolo-pyridine compounds are described, which are useful as cathepsin S modulators. Such compounds may be used in pharmaceutical compositions and methods for the treatment of disease states, disorders, and conditions mediated by cathepsin S activity, such as psoriasis, pain, multiple sclerosis, atherosclerosis, and rheumatoid arthritis.

  本文描述了双环氨基丙基四氢吡唑吡啶化合物，可用作蛋白酶S的调节剂。这些化合物可用于制备药物组合物和治疗疾病状态、障碍和由蛋白酶S活性介导的疾病，如牛皮癣、疼痛、多发性硬化症、动脉粥样硬化和类风湿性关节炎的方法。
• MONOCYCLIC AMINOPROPYL TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S
  申请人：Allen Darin

  公开号：US20090118274A1

  公开（公告）日：2009-05-07

  Monocyclic aminopropyl tetrahydro-pyrazolo-pyridine compounds are described, which are useful as cathepsin S modulators. Such compounds may be used in pharmaceutical compositions and methods for the treatment of disease states, disorders, and conditions mediated by cathepsin S activity, such as psoriasis, pain, multiple sclerosis, atherosclerosis, and rheumatoid arthritis.

  本文描述了单环氨基丙基四氢吡唑吡啶化合物，其可用作蛋白酶S调节剂。这些化合物可用于制备药物组合物和治疗由蛋白酶S活性介导的疾病状态、紊乱和病况，例如银屑病、疼痛、多发性硬化症、动脉硬化和类风湿性关节炎的方法。
• WO2008/100635
  申请人：——

  公开号：——

  公开（公告）日：——
• [EN] BICYCLIC AMINOPROPYL TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S<br/>[FR] MODULATEURS DE LA CATHEPSINE S À LA TÉTRAHYDRO-PYRAZOLO-PYRIDINE AMINOPROPYLE BICYCLIQUES
  申请人：SUNESIS PHARMACEUTICALS INC

  公开号：WO2008100620A2

  公开（公告）日：2008-08-21

  [EN] Bicyclic aminopropyl tetrahydro-pyrazolo-pyridine compounds are described, which are useful as cathepsin S modulators. Such compounds may be used in pharmaceutical compositions and methods for the treatment of disease states, disorders, and conditions mediated by cathepsin S activity, such as psoriasis, pain, multiple sclerosis, atherosclerosis, and rheumatoid arthritis.
  [FR] L'invention concerne des composés de tétrahydro-pyrazolo-pyridine aminopropyle bicycliques, qui sont utiles en tant que modulateurs de la cathepsine S. De tels composés peuvent être utilisés dans des compositions pharmaceutiques et des procédés pour le traitement de maladies, de troubles et d'états provoqués par l'activité de la cathepsine S, tels que le psoriasis, la douleur, la sclérose multiple, l'athérosclérose, et l'arthrite rhumatoïde.
• [EN] 1- [3- (MONOCYCLIC AMINO) PROPYL] - 4, 5, 6, 7-TETRAHYDRO-1H-PYRAZOLO [4, 3-C] -PYRIDINES AS MODULATORS OF CATHEPSIN S<br/>[FR] 1- [3- (MONOCYCLIQUE AMINO) PROPYL] - 4, 5, 6, 7-TÉTRAHYDRO-1H-PYRAZOLO [4, 3-C] -PYRIDINES UTILISÉES EN TANT QUE MODULATEURS DE LA CATHEPSINE S
  申请人：SUNESIS PHARMACEUTICALS INC

  公开号：WO2008100635A1

  公开（公告）日：2008-08-21

  [EN] Monocyclic aminopropyl tetrahydro-pyrazolo-pyridine compounds of formula (I) are described, which are useful as cathepsin S modulators. Such compounds may be used in pharmaceutical compositions and methods for the treatment of disease states, disorders, and conditions mediated by cathepsin S activity, such as psoriasis, pain, multiple sclerosis, atherosclerosis, and rheumatoid arthritis. (I) wherein R¹ and R²
  [FR] L'invention concerne des composés de tétrahydro-pyrazolo-pyridine aminopropyle monocycliques de formule (I) dans laquelle R¹ et R² forment tous les deux et avec l'atome d'azote auquel ils sont attachés un groupe monocyclique hétérocycloalkyle, qui sont utiles en tant que modulateurs de la cathepsine S. De tels composés peuvent être utilisés dans des compositions pharmaceutiques et des procédés pour le traitement de maladies, de troubles et d'états provoqués par l'activité de la cathepsine S, tels que le psoriasis, la douleur, la sclérose multiple, l'athérosclérose et l'arthrite rhumatoïde.