5-chloro-2-(3,5-di-t-butyl-4-hydroxy-benzyl)-7-(2-(2-thiazolyl)-ethynyl)-benzoxazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 英文名称: 5-chloro-2-(3,5-di-t-butyl-4-hydroxy-benzyl)-7-(2-(2-thiazolyl)-ethynyl)-benzoxazole
• 英文别名: 2-(2-[2-{3,5-Di-t-butyl-4-hydroxybenzyl}-5-chlorobenzoxazol-7-yl]ethynyl)-thiazole；2,6-ditert-butyl-4-[[5-chloro-7-[2-(1,3-thiazol-2-yl)ethynyl]-1,3-benzoxazol-2-yl]methyl]phenol
• 化学式: C₂₇H₂₇ClN₂O₂S
• 分子量: 479.043
• InChiKey: SAAVVGLCJGYQDL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  87.4
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• 6,5-Fused aromatic ring systems having enhanced phosphodiesterae IV inhibitory activity
  申请人：Euro-Celtique S.A.

  公开号：EP1160247A1

  公开（公告）日：2001-12-05

  Novel compounds which are effective PDE IV inhibitors are disclosed. The compounds possess improved PDE IV inhibition as compared to theophylline or rolipram, with improved selectivity with regard to, e.g., PDE V inhibition. The present invention includes compounds of Formula I: wherein: rings "A" and "B" can be saturated, unsaturated or partially unsaturated; X1 is selected from CH, C-Cl, or N; X2 is selected from CR12 or N; X3 is selected from CH or N; X4 is selected from CH or N; P1, P2 are independently selected from CH,O or N or NH; M is selected from CH, C, or N; Q is C1-C3 alkyl or -CH=CH-; R6 is selected from -C(R9)3, CH(R9)2, or C3-C8 cycloalkyl; R7 is selected from -OH, -O-CO-CH3, -SH, or -CHO; R8 is selected from -C(R9)3, -CH(R9)2, -C3-C8-cycloalkyl, or -CH2-C4-C6-cycloalkyl; R10 is selected from C1-C3-pyridyl, C3H6OH,-C= C-, Br, -C=C-CH2OH, isopropyl, hydrogen, and R11 is selected from H, -OH, -O-C3-C8-cycloalkyl, -NH2, -NH-C1-C3-alkyl, -SH, -NH-C3-C8-cycloalkyl, -Z-pyridyl, -Z-trienyl, and -Z-CH2OH; R12 is selected from -SH, H, halogen or lower alkyl; R9 is lower alkyl; and Z is selected from ethyl, and -C=C-.

  揭示了有效的PDE IV抑制剂新化合物。这些化合物与茶碱或洛利普兰相比具有改善的PDE IV抑制作用，并具有改善的选择性，例如对于PDE V的抑制。本发明包括以下式I的化合物：其中：环"A"和"B"可以是饱和的、不饱和的或部分不饱和的；X1选自CH、C-Cl或N；X2选自CR12或N；X3选自CH或N；X4选自CH或N；P1、P2独立选自CH、O或N或NH；M选自CH、C或N；Q为C1-C3烷基或-CH=CH-；R6选自-C(R9)3、CH(R9)2或C3-C8环烷基；R7选自-OH、-O-CO-CH3、-SH或-CHO；R8选自-C(R9)3、-CH(R9)2、-C3-C8-环烷基或-CH2-C4-C6-环烷基；R10选自C1-C3-吡啶基、C3H6OH、-C=C-、Br、-C=C-CH2OH、异丙基、氢和R11选自H、-OH、-O-C3-C8-环烷基、-NH2、-NH-C1-C3-烷基、-SH、-NH-C3-C8-环烷基、-Z-吡啶基、-Z-三烯基和-Z-CH2OH；R12选自-SH、H、卤素或较低的烷基；R9为较低的烷基；Z选自乙基和-C=C-。
• Pharmaceutical composition of a pde4 or a pde3/4 inhibitor and a histamine receptor antagonist
  申请人：Nycomed GmbH

  公开号：EP1849468A2

  公开（公告）日：2007-10-31

  The invention relates to the combined administration of PDE4 or PDE3/4 inhibitors and histamine receptor antagonists for the treatment of respiratory diseases.

  本发明涉及联合使用 PDE4 或 PDE3/4 抑制剂和组胺受体拮抗剂治疗呼吸系统疾病。
• Synergistic combination
  申请人：Nycomed GmbH

  公开号：EP2193808A1

  公开（公告）日：2010-06-09

  The invention relates to the combined administration of PDE inhibitors and β2 adrenoceptor agonists for the treatment of respiratory tract disorders.

  本发明涉及联合使用 PDE 抑制剂和 β2 肾上腺素受体激动剂治疗呼吸道疾病。
• NOVEL BENZOXAZOLES
  申请人：Euroceltique S.A.

  公开号：EP0785927A1

  公开（公告）日：1997-07-30
• EP0785927A4
  申请人：——

  公开号：EP0785927A4

  公开（公告）日：1997-12-29