[2-(5-Bromo-2-{2-[4-(4-fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethoxy}-pyridin-3-yl)-ethyl]-phosphonic acid | 713115-59-4

• 分子结构分类: 有机化合物
• 英文名称: [2-(5-Bromo-2-{2-[4-(4-fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethoxy}-pyridin-3-yl)-ethyl]-phosphonic acid
• 英文别名: 2-[5-bromo-2-[2-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]pyridin-3-yl]ethylphosphonic acid
• CAS: 713115-59-4
• 化学式: C₂₂H₂₈BrFN₃O₅P
• 分子量: 544.358
• InChiKey: REYNWJNJQWPBKY-JKSUJKDBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  33
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  103
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• Novel phosphorus-containing derivatives
  申请人：Pfizer Inc

  公开号：US20040127465A1

  公开（公告）日：2004-07-01

  A compound of the Formula I 1 a prodrug thereof, or the pharmaceutically acceptable salt of the compound or prodrug; wherein X, Y, a, b, c, d, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 and R 7 are as defined above and are useful to treat inflammation and other immune disorders. The present invention also relates to pharmaceutical compositions that include compounds of Formula I and a pharmaceutically acceptable carrier. Moreover, the present invention relates to methods of using the above-described compounds and compositions to treat and prevent diseases and conditions.

  一种公式I的化合物，其前体，或该化合物或前体的药用盐；其中X、Y、a、b、c、d、R1、R2、R3、R4、R5、R6和R7如上所定义，并且适用于治疗炎症和其他免疫性疾病。本发明还涉及包括公式I化合物和药用载体的药物组合物。此外，本发明涉及使用上述化合物和组合物治疗和预防疾病和病症的方法。
• PHOSPHORUS-CONTAINING PIPERAZINE DERIVATIVES AS CCR1 ANTAGONISTS
  申请人：Pfizer Products Inc.

  公开号：EP1572704A1

  公开（公告）日：2005-09-14
• [EN] PHOSPHORUS-CONTAINING PIPERAZINE DERIVATIVES AS CCR1 ANTAGONISTS<br/>[FR] DERIVES DE PIPERAZINE CONTENANT DU PHOSPHORE EN TANT QU'ANTAGONISTRES DE CCR1
  申请人：PFIZER PROD INC

  公开号：WO2004055031A1

  公开（公告）日：2004-07-01

  A compound of the Formula (I), a prodrug thereof, or the pharmaceutically acceptable salt of the compound or prodrug; wherein X, Y, a, b, c, d, R1, R2, R3, R4, R5, R6 and R7 are as defined above and are useful to treat inflammation and other immune disorders. The present invention also relates to pharmaceutical compositions that include compounds of Formula (I) and a pharmaceutically acceptable carrier. Moreover, the present invention relates to methods of using the above-described compounds and compositions to treat and prevent diseases and conditions.