(R)-N-(1-cyano-cyclopropyl)-2-[(S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethylamino]-3-(pyridin-3-ylmethyl-sulfanyl)propionamide

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (R)-N-(1-cyano-cyclopropyl)-2-[(S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethylamino]-3-(pyridin-3-ylmethyl-sulfanyl)propionamide
• 英文别名: N-(1-cyanocyclopropyl)-2(R)-[2,2,2-trifluoro-1(S)-(4-fluorophenyl)ethylamino]-3-(pyridin-3-ylmethylsulfanyl)propionamide；N-(1-cyano-cyclopropyl)-2(R)-[2,2,2-trifluoro-1(S)-(4-fluorophenyl)ethylamino]-3-(pyridin-3-ylmethylsulfanyl)propionamide；(2R)-N-(1-cyanocyclopropyl)-3-(pyridin-3-ylmethylsulfanyl)-2-[[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino]propanamide
• 化学式: C₂₁H₂₀F₄N₄OS
• 分子量: 452.476
• InChiKey: LQYJZZJPUSMHJD-ROUUACIJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  31
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  103
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  (R)-N-(1-cyano-cyclopropyl)-2-[(S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethylamino]-3-(pyridin-3-ylmethyl-sulfanyl)propionamide 在 Oxone 作用下， 以 甲醇 、 水 为溶剂， 反应 2.0h， 生成 (R)-N-(1-cyano-cyclopropyl)-3-(difluoro-pyridin-2-yl-methanesulfonyl)-2-[(S)-2,2,2-trifluoro-1-(4-fluoro-phenyl)-ethylamino]-propionamide
  参考文献：
  名称：

  WO2006/102535

  摘要：

  公开号：
• 作为产物：
  描述：

  2,2,2,4'-四氟苯乙酮 在 N-甲基吗啉 、 三乙基硅烷 、 sodium hydroxide 、 sodium tetrahydroborate 、 三(2-羰基乙基)磷盐酸盐 、 sodium hydride 、 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 、 三氟乙酸 作用下， 以 1,4-二氧六环 、 甲醇 、 乙醚 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 生成 (R)-N-(1-cyano-cyclopropyl)-2-[(S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethylamino]-3-(pyridin-3-ylmethyl-sulfanyl)propionamide
  参考文献：
  名称：

  WO2006/102535

  摘要：

  公开号：

文献信息

• Sulfonamide compounds as cysteine protease inhibitors
  申请人：Woo Soon H.

  公开号：US20090233909A1

  公开（公告）日：2009-09-17

  The present invention is directed to compounds of formula (I) that are inhibitors of cysteine proteases, in particular, cathepsins B, K, L, F, and S and are therefore useful in treating diseases mediated by these proteases. The present invention is directed to pharmaceutical compositions comprising these compounds and processes for preparing them. Wherein R3 is -alkylene-SO2NR5R6.

  本发明涉及式(I)的化合物，其为半胱氨酸蛋白酶的抑制剂，特别是对于B、K、L、F和S型的猫蛋白酶，因此可用于治疗这些蛋白酶介导的疾病。本发明涉及含有这些化合物的制药组合物以及制备这些化合物的过程。其中R3为-烷基-SO2NR5R6。
• Sulfonyl Containing Compounds as Cysteine Protease Inhibitors
  申请人：Mossman Craig J.

  公开号：US20080287446A1

  公开（公告）日：2008-11-20

  The present invention is directed to compounds that are inhibitors of cysteine proteases, in particular, cathepsins B, K, L, F, and S and are therefore useful in treating diseases mediated by these proteases. The present invention is directed to pharmaceutical compositions comprising these compounds and processes for preparing them.

  本发明涉及抑制半胱氨酸蛋白酶的化合物，特别是猫蛋白酶B、K、L、F和S，因此在治疗由这些蛋白酶介导的疾病方面非常有用。本发明涉及包含这些化合物的制药组合物和制备它们的方法。
• SULFONYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS
  申请人：Mossman Craig

  公开号：US20110281879A1

  公开（公告）日：2011-11-17

  The present invention is directed to compounds that are inhibitors of cysteine proteases, in particular, cathepsins B, K, L, F, and S and are therefore useful in treating diseases mediated by these proteases. The present invention is directed to pharmaceutical compositions comprising these compounds and processes for preparing them.

  本发明涉及抑制半胱氨酸蛋白酶的化合物，特别是抑制B、K、L、F和S型蛋白酶，因此在治疗由这些蛋白酶介导的疾病中有用。本发明涉及包含这些化合物的制药组合物和其制备方法。
• Sulfonyl containing compounds as cysteine protease inhibitors
  申请人：ViroBay, Inc.

  公开号：US07893093B2

  公开（公告）日：2011-02-22

  The present invention is directed to compounds that are inhibitors of cysteine proteases, in particular, cathepsins B, K, L, F, and S and are therefore useful in treating diseases mediated by these proteases. The present invention is directed to pharmaceutical compositions comprising these compounds and processes for preparing them.

  本发明涉及一类半胱氨酸蛋白酶抑制剂化合物，特别是针对B、K、L、F和S等猫蛋白酶，因此可用于治疗由这些蛋白酶介导的疾病。本发明涉及包含这些化合物的制药组合物和制备它们的过程。
• CATHEPSIN INHIBITORS FOR TREATING MICROGLIA-MEDIATED NEURON LOSS IN THE CENTRAL NERVOUS SYSTEM
  申请人：Booth Robert

  公开号：US20120329837A1

  公开（公告）日：2012-12-27

  The present invention concerns methods of using Cathepsin S inhibitors and compounds of Formula I that are inhibitors of cathepsin S in treating CNS disorders, diseases, and injuries, particularly neurodegenerative conditions. The present invention is directed to pharmaceutical compositions comprising these compounds for treating CNS disorders.

  本发明涉及使用Cathepsin S抑制剂和公式I的化合物作为Cathepsin S抑制剂治疗中枢神经系统疾病、疾病和损伤，特别是神经退行性疾病的方法。本发明涉及制备这些化合物的制药组合物用于治疗中枢神经系统疾病。