1-(5-chloro-2-{(E)-3-[8-(4-fluorobenzyl)-3,8-diazabicyclo[3.2.1]oct-3-yl]-3-oxopropenyl}-phenyl)-3-ethyl-urea | 868406-50-2

• 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: 1-(5-chloro-2-{(E)-3-[8-(4-fluorobenzyl)-3,8-diazabicyclo[3.2.1]oct-3-yl]-3-oxopropenyl}-phenyl)-3-ethyl-urea
• 英文别名: 1-[5-chloro-2-[(E)-3-[8-[(4-fluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-oxoprop-1-enyl]phenyl]-3-ethylurea
• CAS: 868406-50-2
• 化学式: C₂₅H₂₈ClFN₄O₂
• 分子量: 470.974
• InChiKey: ZIHBBCWNZUEJDE-WUXMJOGZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  64.7
• 氢给体数：
  2
• 氢受体数：
  4

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。
• RIFAMYCIN DERIVATIVES FOR TREATING MICROBIAL INFECTIONS
  申请人：Cumbre Pharmaceuticals Inc.

  公开号：EP1781670A1

  公开（公告）日：2007-05-09
• 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.
• [EN] RIFAMYCIN DERIVATIVES FOR TREATING MICROBIAL INFECTIONS<br/>[FR] DERIVES DE RIFAMYCINE POUR TRAITER DES INFECTIONS MICROBIENNES
  申请人：CUMBRE INC

  公开号：WO2006012470A1

  公开（公告）日：2006-02-02

  Novel rifamycin derivatives of formula (I) (both hydroquinone and corresponding quinone (C1-C4) forms), or their salts, hydrates or prodrugs thereof, wherein: a preferred R comprises hydrogen, acetyl; L is a linker, a preferred linker group elements selected from any combination of 1 to 5 groups shown, provided L is not formula (A), wherein R1 is H, methyl or alkyl. The inventive compounds exhibit valuable antibiotic properties. Formulations having these compounds can be used in the control or prevention of infectious diseases in mammals, both humans and non-humans. In particular, the compounds exhibit a pronounced antibacterial activity, even against multiresistant strains of microbes.