N-(5-chloro-2-{3-[3-(4-fluorobenzyl)-7-methanesulfonyl-3,7,9-triazabicyclo[3.3.1]non-9-yl]-3-oxopropenyl}-4-methoxyphenyl)-acetamide | 868407-83-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: N-(5-chloro-2-{3-[3-(4-fluorobenzyl)-7-methanesulfonyl-3,7,9-triazabicyclo[3.3.1]non-9-yl]-3-oxopropenyl}-4-methoxyphenyl)-acetamide
• 英文别名: N-[5-chloro-2-[(E)-3-[3-[(4-fluorophenyl)methyl]-7-methylsulfonyl-3,7,9-triazabicyclo[3.3.1]nonan-9-yl]-3-oxoprop-1-enyl]-4-methoxyphenyl]acetamide
• CAS: 868407-83-4
• 化学式: C₂₆H₃₀ClFN₄O₅S
• 分子量: 565.065
• InChiKey: CXFMHQODQQYCFB-RMKNXTFCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  38
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  108
• 氢给体数：
  1
• 氢受体数：
  8

文献信息

• Compounds As Ccri Antagonists
  申请人：Heng Richard

  公开号：US20070196270A1

  公开（公告）日：2007-08-23

  A compound of formula I, or a pharmaceutically acceptable salt or ester thereof, wherein the symbols have meaning as defined, which are antagonists of CCR-1 and which find use pharmaceutically for treatment of diseases and conditions in which CCR-1 is implicated, e.g. inflammatory diseases.

  化合物I的公式，或其药学上可接受的盐或酯，其中符号的含义如定义的那样，它们是CCR-1的拮抗剂，并且在药学上用于治疗与CCR-1有关的疾病和症状，例如炎症性疾病。
• BRIDGED PIPERAZINE AND PIPERIDINE DERIVATIVES AS CCR1 ANTAGONISTS
  申请人：Novartis AG

  公开号：EP1794164A2

  公开（公告）日：2007-06-13
• [EN] COMPOUNDS AS CCRI ANTAGONISTS<br/>[FR] COMPOSES ANTAGONISTES VIS-A-VIS DU RECEPTEUR DE CHIMIOKINE 1 (CCR-1)
  申请人：NOVARTIS AG

  公开号：WO2005103054A2

  公开（公告）日：2005-11-03

  A compound of formula (I), or a pharmaceutically acceptable salt or ester thereof, wherein the symbols have meaning as defined, which are antagonists of CCR-1 and which find use pharmaceutically for treatment of diseases and conditions in which CCR-1 is implicated, e.g. inflammatory diseases.