(8S,9S)-9-((4-fluorobenzoyl)amino)-2-(4-(oxetan-3-yl)piperazin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-8-yl N-methylcarbamate | 1373215-18-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: (8S,9S)-9-((4-fluorobenzoyl)amino)-2-(4-(oxetan-3-yl)piperazin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-8-yl N-methylcarbamate
• 英文别名: [(8S,9S)-9-[(4-Fluorobenzoyl)amino]-2-[4-(oxetan-3-yl)piperazin-1-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-8-yl]N-methylcarbamate；[(5S,6S)-5-[(4-fluorobenzoyl)amino]-3-[4-(oxetan-3-yl)piperazin-1-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl] N-methylcarbamate
• CAS: 1373215-18-9
• 化学式: C₂₇H₃₃FN₄O₄
• 分子量: 496.582
• InChiKey: MGMLVJQBIDKCLS-DQEYMECFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  36
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  83.1
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  carbamate 、 racemic-trans-4-fluoro-N-[8-hydroxy-2-[4-(oxetan-3-yl)piperazin-1-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-yl]benzamide 、 N-Methylcarbamate 以 二氯甲烷 、 甲醇 为溶剂， 以Obtain the title compound as isomer 1 (333 mg, 99% ee)的产率得到(8S,9S)-9-((4-fluorobenzoyl)amino)-2-(4-(oxetan-3-yl)piperazin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-8-yl N-methylcarbamate
  参考文献：
  名称：

  Cathepsin S inhibitor compounds

  摘要：

  本发明提供一种化合物，其化学式为（I）或其药学上可接受的盐。此外，本发明还提供一种药物组合物，其包括化合物（I）或其药学上可接受的盐，以及药学上可接受的稀释剂或载体。本发明还提供治疗腹主动脉瘤、斑块不稳定性、动脉粥样硬化或自身免疫性疾病，如类风湿性关节炎、银屑病和红斑狼疮的方法，包括给予化合物（I）或其药学上可接受的盐或包括化合物（I）或其药学上可接受的盐和药学上可接受的稀释剂或载体的药物组合物的治疗有效量。

  公开号：

  US08227468B2

文献信息

• Cathepsin S Inhibitor Compounds
  申请人：DENG Gary G.

  公开号：US20120095020A1

  公开（公告）日：2012-04-19

  The present invention provides a compound of Formula (I): or a pharmaceutically acceptable salt thereof. Also, the present invention provides a pharmaceutical composition comprising a compound of Formula (I) or a pharmaceutically acceptable salt thereof with a pharmaceutically acceptable diluent or carrier. The present invention further provides methods for treating abdominal aortic aneurysm, plaque instability, atherosclerosis, or autoimmune disorders such as rheumatoid arthritis, psoriasis, and lupus comprising administering a therapeutically effective amount of a compound of Formula (I) or a pharmaceutically acceptable salt thereof or a pharmaceutical composition comprising a compound of Formula (I) or pharmaceutically acceptable salt thereof and a pharmaceutically acceptable diluent or carrier.

  本发明提供了化合物的化学式(I)： 或其药学上可接受的盐。此外，本发明提供了一种包含化合物的药物组合物的制剂(I)或其药学上可接受的盐与药学上可接受的稀释剂或载体。本发明还提供了治疗腹主动脉瘤、斑块不稳定性、动脉粥样硬化或类风湿性关节炎、牛皮癣和红斑狼疮等自身免疫性疾病的方法，包括给予化合物的治疗有效量的化合物的化学式(I)或其药学上可接受的盐或包含化合物的药物组合物的制剂(I)或其药学上可接受的盐和药学上可接受的稀释剂或载体。
• CATHEPSIN S INHIBITOR COMPOUNDS
  申请人：Eli Lilly and Company

  公开号：EP2630141A1

  公开（公告）日：2013-08-28
• US8227468B2
  申请人：——

  公开号：US8227468B2

  公开（公告）日：2012-07-24
• [EN] CATHEPSIN S INHIBITOR COMPOUNDS<br/>[FR] COMPOSÉS INHIBITEURS DE LA CATHEPSINE S
  申请人：LILLY CO ELI

  公开号：WO2012054315A1

  公开（公告）日：2012-04-26

  The present invention provides a compound of Formula (I): or a pharmaceutically acceptable salt thereof. Also, the present invention provides a pharmaceutical composition comprising a compound of Formula (I) or a pharmaceutically acceptable salt thereof with a pharmaceutically acceptable diluent or carrier. The present invention further provides methods for treating abdominal aortic aneurysm, plaque instability, atherosclerosis, or autoimmune disorders such as rheumatoid arthritis, psoriasis, and lupus comprising administering a therapeutically effective amount of a compound of Formula (I) or a pharmaceutically acceptable salt thereof or a pharmaceutical composition comprising a compound of Formula (I) or pharmaceutically acceptable salt thereof and a pharmaceutically acceptable diluent or carrier.