(2R,2'R)-2,2'-{Dithiobis[(2-chloro[1,3]thiazolo[4,5-d]pyrimidine-5,7-diyl)(methylimino)]}dipentan-1-ol | 1016228-88-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (2R,2'R)-2,2'-{Dithiobis[(2-chloro[1,3]thiazolo[4,5-d]pyrimidine-5,7-diyl)(methylimino)]}dipentan-1-ol
• 英文别名: (2R)-2-[[2-chloro-5-[[2-chloro-7-[[(2R)-1-hydroxypentan-2-yl]-methylamino]-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]disulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-methylamino]pentan-1-ol
• CAS: 1016228-88-8
• 化学式: C₂₂H₂₈Cl₂N₈O₂S₄
• 分子量: 635.687
• InChiKey: LCKLZGKFPGECBG-VXGBXAGGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  38
• 可旋转键数：
  13
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  231
• 氢给体数：
  2
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  甲醇 、 (2R,2'R)-2,2'-{Dithiobis[(2-chloro[1,3]thiazolo[4,5-d]pyrimidine-5,7-diyl)(methylimino)]}dipentan-1-ol 在 氢氧化钾 作用下， 生成 (2R)-2-[[5-[[7-[[(2R)-1-hydroxypentan-2-yl]-methylamino]-2-methoxy-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]disulfanyl]-2-methoxy-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-methylamino]pentan-1-ol
  参考文献：
  名称：

  WO2008/39138

  摘要：

  公开号：
• 作为产物：
  描述：

  (2R)-2-[(2-Amino-5-mercapto[1,3]thiazolo[4,5-d]pyrimidin-7-yl)(methyl)amino]pentan-1-ol 在 盐酸 、 sodium nitrite 作用下， 以 水 、 乙腈 为溶剂， 反应 72.0h， 以75%的产率得到(2R,2'R)-2,2'-{Dithiobis[(2-chloro[1,3]thiazolo[4,5-d]pyrimidine-5,7-diyl)(methylimino)]}dipentan-1-ol
  参考文献：
  名称：

  WO2008/39138

  摘要：

  公开号：

文献信息

• Novel Compounds 480
  申请人：Johansson Rolf

  公开号：US20080318981A1

  公开（公告）日：2008-12-25

  There are disclosed novel 5,7-disubstituted [1,3]thiazolo[4,5-d]pyrimidin-2(3H)-one derivatives of formula (I) wherein R 1 , R 2 , R 3 , R 4 and n are as defined in the specification, and pharmaceutically acceptable salts thereof, together with processes for their preparation, pharmaceutical compositions comprising them and their use in therapy. The compounds of formula (I) are CX 3 CR 1 receptor antagonists and are thereby particularly useful in the treatment or prophylaxis of neurodegenerative disorders, demyelinating disease, cardio- and cerebrovascular atherosclerotic disorders, peripheral artery disease, rheumatoid arthritis, pulmonary diseases such as COPD, asthma or pain.

  本发明公开了一种新型的5,7-二取代[1,3]噻唑并[4,5-d]嘧啶-2(3H)-酮衍生物(I)，其中R1、R2、R3、R4和n在规范中定义，以及其药学上可接受的盐，以及它们的制备方法、含有它们的制药组合物和它们在治疗中的应用。化合物(I)是CX3CR1受体拮抗剂，因此在治疗或预防神经退行性疾病、脱髓鞘疾病、心血管和脑血管动脉粥样硬化性疾病、周围动脉疾病、类风湿性关节炎、COPD、哮喘或疼痛方面特别有用。
• 5,7-disubstituted thiazolo[4,5-d]pyrimidines for the selective inhibition of chemokine receptors
  申请人：AstraZeneca AB

  公开号：US07960395B2

  公开（公告）日：2011-06-14

  There are disclosed novel 5,7-disubstituted [1,3]thiazolo[4,5-d]pyrimidin-2(3H)-one derivatives of formula (I) wherein R1, R2, R3, R4 and n are as defined in the specification, and pharmaceutically acceptable salts thereof, together with processes for their preparation, pharmaceutical compositions comprising them and their use in therapy. The compounds of formula (I) are CX3CR1 receptor antagonists and are thereby particularly useful in the treatment or prophylaxis of neurodegenerative disorders, demyelinating disease, cardio- and cerebrovascular atherosclerotic disorders, peripheral artery disease, rheumatoid arthritis, pulmonary diseases such as COPD, asthma or pain.

  本发明涉及一种新的5,7-二取代[1,3]噻唑并[4,5-d]嘧啶-2(3H)-酮衍生物的公开，其化学式为(I)，其中R1、R2、R3、R4和n如规范中所定义，并且其药学上可接受的盐，以及它们的制备方法、包含它们的制药组合物和它们在治疗中的应用。化合物(I)是CX3CR1受体拮抗剂，因此特别适用于治疗或预防神经退行性疾病、脱髓鞘疾病、心脏和脑血管动脉粥样硬化性疾病、周围动脉疾病、类风湿性关节炎、COPD、哮喘或疼痛等肺部疾病。
• 5,7-DISUBSTITUTED THIAZOLO[4,5-D]PYRIMIDINES FOR THE SELECTIVE INHIBITION OF CHEMOKINE RECEPTORS
  申请人：Johansson Rolf

  公开号：US20110105537A1

  公开（公告）日：2011-05-05

  There are disclosed novel 5,7-disubstituted [1,3]thiazolo[4,5-d]pyrimidin-2(3H)-one derivatives of formula (I) wherein R 1 , R 2 , R 3 , R 4 and n are as defined in the specification, and pharmaceutically acceptable salts thereof, together with processes for their preparation, pharmaceutical compositions comprising them and their use in therapy. The compounds of formula (I) are CX 3 CR1 receptor antagonists and are thereby particularly useful in the treatment or prophylaxis of neurodegenerative disorders, demyelinating disease, cardio- and cerebrovascular atherosclerotic disorders, peripheral artery disease, rheumatoid arthritis, pulmonary diseases such as COPD, asthma or pain.

  本发明揭示了一种新的5,7-二取代[1,3]噻唑并[4,5-d]嘧啶-2(3H)-酮衍生物(I)，其中R1、R2、R3、R4和n如规范所定义，以及其药学上可接受的盐，还揭示了它们的制备方法、包含它们的制药组合物以及它们在治疗中的使用。公式(I)化合物是CX3CR1受体拮抗剂，因此在神经退行性疾病、脱髓鞘性疾病、心血管和脑血管动脉粥样硬化性疾病、周围动脉疾病、类风湿性关节炎、COPD、哮喘或疼痛的治疗或预防中特别有用。
• NOVEL 5, 7-DISUBSTITUTED [1, 3]THIAZOLO [4, 5-D]PYRIMIDIN-2 (3H)-ONE DERIVATIVES AND THEIR USE IN THERAPY
  申请人：AstraZeneca AB

  公开号：EP2069364B1

  公开（公告）日：2011-12-14
• US7960395B2
  申请人：——

  公开号：US7960395B2

  公开（公告）日：2011-06-14