(S)-2-{2-[(2S,7R)-4-((R)-1-carbamoyl-2-naphthalen-1-yl-ethyl)-2-(3-chloro-phenyl)-7-methyl-3-oxo-[1,4]diazepan-1-yl]-2-oxo-ethylcarbamoyl}-piperidine-1-carboxylic acid tert-butyl ester | 913358-12-0

• 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: (S)-2-{2-[(2S,7R)-4-((R)-1-carbamoyl-2-naphthalen-1-yl-ethyl)-2-(3-chloro-phenyl)-7-methyl-3-oxo-[1,4]diazepan-1-yl]-2-oxo-ethylcarbamoyl}-piperidine-1-carboxylic acid tert-butyl ester
• 英文别名: tert-butyl (2S)-2-[[2-[(2S,7R)-4-[(2R)-1-amino-3-naphthalen-1-yl-1-oxopropan-2-yl]-2-(3-chlorophenyl)-7-methyl-3-oxo-1,4-diazepan-1-yl]-2-oxoethyl]carbamoyl]piperidine-1-carboxylate
• CAS: 913358-12-0
• 化学式: C₃₈H₄₆ClN₅O₆
• 分子量: 704.266
• InChiKey: XODWULIORKPKCP-PZZOKUQMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  50
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  142
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• Pharmaceutically Active Diazepanes
  申请人：Oberhauser Berndt

  公开号：US20080300237A1

  公开（公告）日：2008-12-04

  Leukocyte Function-Associated Antigen One (LFA-1) is a cell adhesion molecule selectively expressed on leukocytes, and plays a major role in the activation and trafficking of T lymphocytes in the tissue at sites of inflammation. In the last decade a large body of preclinical data has accumulated to establish the importance of LFA-1 as a biological target, 10 particularly in chronic, T-cell driven inflammatory conditions. The present invention provides pharmaceutically active 1,4-diazepan-2-ones of formula I useful for the treatment of conditions related to LFA-1 activity.

  白细胞功能相关抗原一（LFA-1）是一种细胞黏附分子，选择性地表达在白细胞上，对于在炎症部位的组织中T淋巴细胞的激活和转移起着重要作用。在过去的十年中，大量的临床前数据已经积累，以确定LFA-1作为生物学靶点的重要性，特别是在慢性的、T细胞驱动的炎症情况下。本发明提供了公式I的药物活性1,4-二氮杂环己烷-2-酮，用于治疗与LFA-1活性相关的疾病。
• Pharmaceutically active diazepanes
  申请人：Novartis AG

  公开号：EP2206704A1

  公开（公告）日：2010-07-14

  The present invention provides 1.4- diazepam-2-ones of formula (I) wherein R1, R2 and R3 are as defined in the specification, which mediate LFA-1 activity; the use of such compounds for the treatment of conditions related to LFA-1 activity, such as T-cel driven inflammatory conditions.

  本发明提供了式(I)的1.4-地西泮-2-酮，其中R1、R2和R3如说明书中所定义，可介导LFA-1活性；将此类化合物用于治疗与LFA-1活性有关的病症，如T细胞驱动的炎症。
• PHARMACEUTICALLY ACTIVE DIAZEPANES
  申请人：Novartis AG

  公开号：EP1874739B1

  公开（公告）日：2010-05-26