(S)-5-cyclopropyl-N-((S)-1-(cyclopropylamino)-1,2-dioxopentan-3-yl)-2-(2,2-difluoro-2-(4-fluorophenoxy)ethylamino)-4,4-difluoropentanamide | 1227086-96-5

• 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: (S)-5-cyclopropyl-N-((S)-1-(cyclopropylamino)-1,2-dioxopentan-3-yl)-2-(2,2-difluoro-2-(4-fluorophenoxy)ethylamino)-4,4-difluoropentanamide
• 英文别名: (2S)-5-cyclopropyl-N-[(3S)-1-(cyclopropylamino)-1,2-dioxopentan-3-yl]-2-[[2,2-difluoro-2-(4-fluorophenoxy)ethyl]amino]-4,4-difluoropentanamide
• CAS: 1227086-96-5
• 化学式: C₂₄H₃₀F₅N₃O₄
• 分子量: 519.512
• InChiKey: JUIMMJXDJQYLFC-OALUTQOASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  36
• 可旋转键数：
  15
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  96.5
• 氢给体数：
  3
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  (2S)-5-cyclopropyl-N-((3S)-1-(cyclopropylamino)-2-hydroxy-1-oxopentan-3-yl)-2-(2,2-difluoro-2-(4-fluorophenoxy)ethylamino)-4,4-difluoropentanamide 在 戴斯-马丁氧化剂 作用下， 以 1-甲基吡咯烷 为溶剂， 反应 4.0h， 以76%的产率得到(S)-5-cyclopropyl-N-((S)-1-(cyclopropylamino)-1,2-dioxopentan-3-yl)-2-(2,2-difluoro-2-(4-fluorophenoxy)ethylamino)-4,4-difluoropentanamide
  参考文献：
  名称：

  [EN] HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS
  [FR] COMPOSÉS CONTENANT UN HALOGÉNOALKYLE EN TANT QU'INHIBITEURS DE CYSTÉINE PROTÉASE

  摘要：

  公开号：

  WO2010056877A3

文献信息

• CATHEPSIN INHIBITORS FOR THE TREATMENT OF BONE CANCER AND BONE CANCER PAIN
  申请人：Booth Robert

  公开号：US20120282267A1

  公开（公告）日：2012-11-08

  The present invention is directed to methods of using compounds that are inhibitors of cysteine proteases, in particular, of both cathepsins S and K and optionally further cathepsins B and/or L in treating bone cancer. The present invention is directed to pharmaceutical compositions comprising these compounds for treating bone cancer and bone cancer pain, especially the pain associated with metastasis. A single compound can be used to ameliorate the pain, the injury to bone, while also reducing tumor growth, the risk of metastasis and/or invasiveness of the cancer.

  本发明涉及使用抑制蛋白酶半胱氨酸蛋白酶的化合物的方法，特别是用于治疗骨癌的卡特普辛S和K以及可选地进一步的卡特普辛B和/或L。本发明涉及含有这些化合物的药物组合物，用于治疗骨癌和骨癌疼痛，尤其是与转移有关的疼痛。单一化合物可用于缓解疼痛、骨折伤，同时减少肿瘤生长、转移风险和/或癌症的侵袭性。
• Cathepsin inhibitors for the treatment of bone cancer and bone cancer pain
  申请人：Booth Robert

  公开号：US08680152B2

  公开（公告）日：2014-03-25

  The present invention is directed to methods of using compounds that are inhibitors of cysteine proteases, in particular, of both cathepsins S and K and optionally further cathepsins B and/or L in treating bone cancer. The present invention is directed to pharmaceutical compositions comprising these compounds for treating bone cancer and bone cancer pain, especially the pain associated with metastasis. A single compound can be used to ameliorate the pain, the injury to bone, while also reducing tumor growth, the risk of metastasis and/or invasiveness of the cancer.

  本发明涉及使用抑制半胱氨酸蛋白酶的化合物的方法，特别是针对卡特普西林S和K以及可选的卡特普西林B和/或L，用于治疗骨癌。本发明涉及包含这些化合物的药物组合物，用于治疗骨癌和骨癌疼痛，特别是与转移相关的疼痛。单一化合物可以用于缓解疼痛、减少骨损伤，同时减少肿瘤生长、转移风险和/或癌症的侵袭性。
• HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS
  申请人：Virobay, Inc.

  公开号：EP2361243A2

  公开（公告）日：2011-08-31
• US8680152B2
  申请人：——

  公开号：US8680152B2

  公开（公告）日：2014-03-25
• [EN] CATHEPSIN INHIBITORS FOR THE TREATMENT OF BONE CANCER AND BONE CANCER PAIN<br/>[FR] INHIBITEUR DE CATHEPSINE POUR LE TRAITEMENT DU CANCER DES OS ET DE LA DOULEUR PROVOQUÉE PAR LE CANCER DES OS
  申请人：VIROBAY INC

  公开号：WO2012151319A1

  公开（公告）日：2012-11-08

  The present invention is directed to methods of using compounds that are inhibitors of cysteine proteases, in particular, of both cathepsins S and K and optionally further cathepsins B and/or L in treating bone cancer. The present invention is directed to pharmaceutical compositions comprising these compounds for treating bone cancer and bone cancer pain, especially the pain associated with metastasis. A single compound can be used to ameliorate the pain, the injury to bone, while also reducing tumor growth, the risk of metastasis and/or invasiveness of the cancer.