4-[[[5-bromo-4-(4-cyano-2,6-dimethylphenoxy)-6-hydroxymethyl]-2-pyrimidinyl]amino]benzonitrile

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-[[[5-bromo-4-(4-cyano-2,6-dimethylphenoxy)-6-hydroxymethyl]-2-pyrimidinyl]amino]benzonitrile
• 英文别名: (6-[4-(Aminomethyl)-2,6-dimethylphenoxy]-2-{[4-(aminomethyl)phenyl]amino}-5-bromopyrimidin-4-YL)methanol；4-[5-bromo-2-(4-cyanoanilino)-6-(hydroxymethyl)pyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile
• 化学式: C₂₁H₁₆BrN₅O₂
• 分子量: 450.294
• InChiKey: LSIZSSASMKSUIU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  115
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• HIV replication inhibitors
  申请人：——

  公开号：US20030171374A1

  公开（公告）日：2003-09-11

  This invention concerns HIV replication inhibitors of formula 1 the N-oxides, the pharmaceutically acceptable addition salts, the quaternary amines and the stereochemically isomeric forms thereof, provided that when Q is halo then Z is N; or when Q is polyhaloC 1-6 alkyl then Y is hydrogen or C 1-6 alkyl; their use as a medicine, their processes for preparation and pharmaceutical compositions comprising them.

  本发明涉及公式1的HIV复制抑制剂，其包括N-氧化物、药用可接受的加合盐、季铵盐和其立体化异构体，前提是当Q为卤素时，Z为N；或当Q为多卤代C1-6烷基时，Y为氢或C1-6烷基。本发明还涉及这些化合物作为药物的用途，它们的制备方法以及包含它们的制药组合物。
• HIV REPLICATION INHIBITING PYRIMIDINES AND TRIAZINES
  申请人：Janssen Pharmaceutica NV

  公开号：EP1282606B1

  公开（公告）日：2015-04-22
• US7276510B2
  申请人：——

  公开号：US7276510B2

  公开（公告）日：2007-10-02
• US8623595B2
  申请人：——

  公开号：US8623595B2

  公开（公告）日：2014-01-07
• [EN] HIV REPLICATION INHIBITORS<br/>[FR] INHIBITEURS DE LA REPLICATION DU VIH
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2001085700A2

  公开（公告）日：2001-11-15

  This invention concerns HIV replication inhibitors of formula (I)the N-oxides, the pharmaceutically acceptable addition salts, the quaternary amines and the stereochemically isomeric forms thereof, provided that when Q is halo then Z is N; or when Q is polyhaloC1-6alkyl then Y is hydrogen or C1-6alkyl; their use as a medicine, their processes for preparation and pharmaceutical compositions comprising them.