(3S)-3-amino-N-cyclopropyl-2-hydroxypentanamide hydrochloride | 910544-90-0

• 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: (3S)-3-amino-N-cyclopropyl-2-hydroxypentanamide hydrochloride
• 英文别名: (3S)-3-amino-N-cyclopropyl-2-hydroxypentanamide;hydrochloride
• CAS: 910544-90-0
• 化学式: C₈H₁₆N₂O₂*ClH
• 分子量: 208.688
• InChiKey: GUSCSAHQYPOLJM-OXIGJRIQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.22
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  75.4
• 氢给体数：
  4
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (3S)-3-amino-N-cyclopropyl-2-hydroxypentanamide hydrochloride 、 (S)-5-cyclopropyl-2-(2,2-difluoro-2-(4-fluorophenoxy)ethylamino)-4,4-difluoropentanoic acid 在 N-甲基吗啉 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 、 1-hydroxy-1,1,2-ethanetricarboxylic acid 作用下， 以 二氯甲烷 、 水 、 乙酸乙酯 为溶剂， 生成 (2S)-5-cyclopropyl-N-((3S)-1-(cyclopropylamino)-2-hydroxy-1-oxopentan-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。
• Alpha ketoamide compounds as cysteine protease inhibitors
  申请人：Graupe Michael

  公开号：US20070021353A1

  公开（公告）日：2007-01-25

  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.

  本发明涉及一种抑制半胱氨酸蛋白酶的化合物，特别是对卡特普西蛋白B、K、L、F和S的抑制剂，因此可以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方法。
• ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS
  申请人：Graupe Michael

  公开号：US20120190714A1

  公开（公告）日：2012-07-26

  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.

  本发明涉及一种抑制半胱氨酸蛋白酶的化合物，特别是抑制B、K、L、F和S型猫蛋白酶，因此在治疗由这些蛋白酶介导的疾病方面有用。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。
• 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。
• Composition comprising an alpha ketoamide compound as cysteine protease inhibitor
  申请人：Virobay, Inc.

  公开号：EP2511257B1

  公开（公告）日：2015-06-17