1-(2S-tert-butoxycarbonylamino-3,3-dimethylbutyryl)-4R-(7-methoxy-2-pyrazol-1-yl-quinolin-4-yloxy)-pyrrolidine-2S-carboxylic acid methyl ester | 918662-09-6

• 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: 1-(2S-tert-butoxycarbonylamino-3,3-dimethylbutyryl)-4R-(7-methoxy-2-pyrazol-1-yl-quinolin-4-yloxy)-pyrrolidine-2S-carboxylic acid methyl ester
• 英文别名: methyl (2S,4R)-1-[(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-(7-methoxy-2-pyrazol-1-ylquinolin-4-yl)oxypyrrolidine-2-carboxylate
• CAS: 918662-09-6
• 化学式: C₃₀H₃₉N₅O₇
• 分子量: 581.669
• InChiKey: DDDQAUSNWWXARC-RZTXVSJASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  42
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  134
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  1-(2S-tert-butoxycarbonylamino-3,3-dimethylbutyryl)-4R-(7-methoxy-2-pyrazol-1-yl-quinolin-4-yloxy)-pyrrolidine-2S-carboxylic acid methyl ester 在 盐酸 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 1.0h， 生成 1-(2S-amino-3,3-dimethylbutyryl)-4R-(7-methoxy-2-pyrazol-1-yl-quinolin-4-yloxy)-pyrrolidine-2S-carboxylic acid methyl ester hydrochloride salt
  参考文献：
  名称：

  WO2007/5838

  摘要：

  公开号：
• 作为产物：
  描述：

  4R-(7-methoxy-2-pyrazol-1-yl-quinolin-4-yloxy)-pyrrolidine-2S-carboxylic acid methyl ester hydrochloride 、 N-Boc-L-叔亮氨酸 在 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-) 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 以100%的产率得到1-(2S-tert-butoxycarbonylamino-3,3-dimethylbutyryl)-4R-(7-methoxy-2-pyrazol-1-yl-quinolin-4-yloxy)-pyrrolidine-2S-carboxylic acid methyl ester
  参考文献：
  名称：

  WO2007/5838

  摘要：

  公开号：

文献信息

• INHIBITORS OF CATHEPSIN B
  申请人：Holsinger Leslie

  公开号：US20090203629A1

  公开（公告）日：2009-08-13

  The present invention is directed to a method of using compounds of Formula (I) to inhibit Cathepsin B. Specifically the compounds of the present invention are useful as therapeutic agents for the treatment of tumor invasion, metastasis, Alzheimer's Disease, arthritis, inflammatory diseases such as chronic and acute pancreatitis, inflammatory airway disease, and bone and joint disorders, including osteoporosis, osteoarthritis, rheumatoid arthritis, psoriasis, and other autoimmune disorders, liver fibrosis, including liver fibrosis associated with HCV, all types of steatosis (including non-alcoholic steatohepatitis) and alcohol-associated steatohepatitis, non-alcoholic fatty liver disease, forms of pulmonary fibrosis including idiopathic pulmonary fibrosis, pathological diagnosis of interstitial pneumonia following lung biopsy, renal fibrosis, cardiac fibrosis, retinal angiogenesis and fibrosis/gliosis in the eye, schleroderma, and systemic sclerosis. The compounds of Formula (I) are also useful for treating subjects with both HCV and fibrosis in a mammal, particularly liver fibrosis, and subjects affirmatively diagnosed or at risk for both HCV and liver fibrosis.

  本发明涉及一种使用化合物I的方法来抑制蛋白酶B。具体地说，本发明的化合物可用作治疗肿瘤侵袭、转移、阿尔茨海默病、关节炎、慢性和急性胰腺炎、炎症性疾病（如慢性和急性胰腺炎、炎症性气道疾病、骨骼和关节疾病，包括骨质疏松症、骨关节炎、类风湿性关节炎、牛皮癣和其他自身免疫性疾病、包括与丙型肝炎病毒相关的肝纤维化、所有类型的脂肪变性（包括非酒精性脂肪肝炎）和酒精相关性脂肪肝炎、非酒精性脂肪肝病、包括特发性肺纤维化、肺活检后的间质性肺炎病理诊断、肾脏纤维化、心脏纤维化、视网膜血管生成和眼部纤维化/胶质增生、硬皮病和全身性硬化症等疾病的治疗剂。化合物I也适用于治疗哺乳动物中同时患有丙型肝炎病毒和纤维化的受试者，特别是肝纤维化，以及已经确诊或有患有丙型肝炎病毒和肝纤维化风险的受试者。
• HCV Inhibitors
  申请人：Graupe Michael

  公开号：US20070054864A1

  公开（公告）日：2007-03-08

  The present invention is directed to compounds that are antiviral agents. Specifically the compounds of the present invention inhibit replication of HCV and are therefore useful in treating hepatitis C infections. The present invention is also directed to pharmaceutical compositions comprising these compounds and processes for preparing them.

  本发明涉及抗病毒剂化合物。具体而言，本发明的化合物抑制HCV的复制，因此可用于治疗丙型肝炎感染。本发明还涉及包含这些化合物的制药组合物以及制备它们的过程。
• HCV INHIBITORS
  申请人：Graupe Michael

  公开号：US20100266537A1

  公开（公告）日：2010-10-21

  The present invention is directed to compounds that are antiviral agents. Specifically the compounds of the present invention inhibit replication of HCV and are therefore useful in treating hepatitis C infections. The present invention is also directed to pharmaceutical compositions comprising these compounds and processes for preparing them.

  本发明涉及抗病毒剂化合物。具体而言，本发明的化合物抑制HCV的复制，因此可用于治疗丙型肝炎感染。本发明还涉及包含这些化合物的制药组合物和制备它们的过程。
• US7608592B2
  申请人：——

  公开号：US7608592B2

  公开（公告）日：2009-10-27
• US8211897B2
  申请人：——

  公开号：US8211897B2

  公开（公告）日：2012-07-03