{1-[4R-(5-chloropyridin-2-yloxy)-2S-(1S-cyclobutylmethyl-2-cyclopropylcarbamoyl-2-hydroxyethyl-carbamoyl)-pyrrolidine-1-carbonyl]-2,2-dimethyl-propyl}-carbamic acid tert-butyl ester | 918662-17-6

• 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-[4R-(5-chloropyridin-2-yloxy)-2S-(1S-cyclobutylmethyl-2-cyclopropylcarbamoyl-2-hydroxyethyl-carbamoyl)-pyrrolidine-1-carbonyl]-2,2-dimethyl-propyl}-carbamic acid tert-butyl ester
• 英文别名: tert-butyl (2S)-1-((2S,4R)-4-(5-chloro-pyridin-2-yloxy)-2-((2S)-1-cyclobutyl-4-(cyclopropylamino)-3-hydroxy-4-oxobutan-2-ylcarbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-ylcarbamate；tert-butyl N-[(2S)-1-[(2S,4R)-4-(5-chloropyridin-2-yl)oxy-2-[[(2S)-1-cyclobutyl-4-(cyclopropylamino)-3-hydroxy-4-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
• CAS: 918662-17-6
• 化学式: C₃₂H₄₈ClN₅O₇
• 分子量: 650.215
• InChiKey: NQLCPRUTUVGKSH-QNCTTZBWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  45
• 可旋转键数：
  14
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  159
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  {1-[4R-(5-chloropyridin-2-yloxy)-2S-(1S-cyclobutylmethyl-2-cyclopropylcarbamoyl-2-hydroxyethyl-carbamoyl)-pyrrolidine-1-carbonyl]-2,2-dimethyl-propyl}-carbamic acid tert-butyl 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-(5-chloropyridin-2-yloxy)-pyrrolidine-2-carboxylic acid (1-cyclobutyl-methyl-2-cyclopropylcarbamoyl-2-hydroxyethyl)-amide hydrochloride salt
  参考文献：
  名称：

  WO2007/5838

  摘要：

  公开号：
• 作为产物：
  描述：

  3S-amino-4-cyclobutyl-N-cyclopropyl-2-hydroxy-butyramide 、 1-(2S-tert-butoxycarbonylamino-3,3-dimethyl-butyryl)-4R-(5-chloro-pyridin-2-yloxy)-pyrrolidine-2S-carboxylic acid 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 生成 {1-[4R-(5-chloropyridin-2-yloxy)-2S-(1S-cyclobutylmethyl-2-cyclopropylcarbamoyl-2-hydroxyethyl-carbamoyl)-pyrrolidine-1-carbonyl]-2,2-dimethyl-propyl}-carbamic acid tert-butyl ester
  参考文献：
  名称：

  WO2007/5838

  摘要：

  公开号：

文献信息

• 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。
• Inhibitors of cathepsin B
  申请人：ViroBay, Inc.

  公开号：US08211897B2

  公开（公告）日：2012-07-03

  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.

  本发明涉及使用式(I)化合物抑制猫hepsin B的方法。具体而言，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、炎症性呼吸道疾病、骨骼和关节疾病（包括骨质疏松症、骨关节炎、银屑病和其他自身免疫性疾病）、包括与HCV相关的肝纤维化、所有类型的脂肪变性（包括非酒精性脂肪性肝病）和酒精相关的脂肪性肝病、非酒精性脂肪性肝病、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、硬皮病和系统性硬化症的治疗剂。式(I)化合物也可用于治疗哺乳动物中同时患有HCV和纤维化，特别是肝纤维化的受试者，以及被肯定诊断或有患HCV和肝纤维化风险的受试者。
• 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.

  本发明涉及使用式(I)化合物来抑制蛋白酶B。具体地，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、炎性气道疾病、骨骼和关节疾病（包括骨质疏松症、骨关节炎、银屑病和其他自身免疫性疾病）、包括与HCV相关的肝纤维化、各种脂肪变性（包括非酒精性脂肪性肝炎）和酒精相关的脂肪性肝炎、非酒精性脂肪性肝病、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内纤维化/胶质化、硬皮病和系统性硬化症的治疗剂。式(I)化合物也适用于治疗哺乳动物中同时患有HCV和纤维化，特别是肝纤维化的受试者以及经诊断或有患HCV和肝纤维化风险的受试者。
• [EN] HCV INHIBITORS<br/>[FR] INHIBITEURS DU VHC
  申请人：VIROBAY INC

  公开号：WO2007005838A2

  公开（公告）日：2007-01-11

  [EN] 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.
  [FR] L'invention concerne des composés constituant des agents antiviraux. En particulier, les composés selon l'invention inhibent la réplication du VHC et sont donc utiles pour traiter des infections par l'hépatite C. L'invention concerne également des compositions pharmaceutiques comprenant ces composés et des procédés de préparation de ceux-ci.
• WO2007/5838
  申请人：——

  公开号：——

  公开（公告）日：——