3-chloromethyl-6,7-dihydro-5H-thiazolo[3,2-a]pyrimidine | 342402-80-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 3-chloromethyl-6,7-dihydro-5H-thiazolo[3,2-a]pyrimidine
• 英文别名: 3-(chloromethyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine
• CAS: 342402-80-6
• 化学式: C₇H₉ClN₂S
• mdl: MFCD08061140
• 分子量: 188.681
• InChiKey: XTBXEVZQUSXDJR-UHFFFAOYSA-N

物化性质

• 沸点：
  287.3±42.0 °C(Predicted)
• 密度：
  1.48±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.571
• 拓扑面积：
  40.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-chloromethyl-6,7-dihydro-5H-thiazolo[3,2-a]pyrimidine 在 ammonium hydroxide 作用下， 以 乙醇 为溶剂， 生成 C-(6,7-dihydro-5H-thiazolo[3,2-a]pyrimidin-3-yl)-methylamine
  参考文献：
  名称：

  Arya,V.P.; Shenoy,S.J., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1976, vol. 14, p. 759 - 762

  摘要：

  DOI：
• 作为产物：
  描述：

  3,4,5,6-四氢-2-嘧啶硫醇 、 1,3-二氯丙酮 以44%的产率得到
  参考文献：
  名称：

  ARYA V. P.; SHENOY S. J., INDIAN J. CHEM. , 1976, B 14, NO 10, 759-762

  摘要：

  DOI：

文献信息

• [EN] IMIDAZOLINE DERIVATIVES AS CXCR4 MODULATORS<br/>[FR] DÉRIVÉS D'IMIDAZOLINE UTILISÉS EN TANT QUE MODULATEURS DE CXCR4
  申请人：UNIV PARIS

  公开号：WO2020201096A1

  公开（公告）日：2020-10-08

  The present invention provides novel compounds of formula (I) and pharmaceutical compositions containing these compounds. The compounds of formula (I) can act as CXCR4 modulators that specifically target the CXCR4 minor pocket, and they have further been found to inhibit the production of inflammatory cytokines in immune cells, which renders these compounds highly advantageous for use in therapy, particularly in the treatment or prevention of an inflammatory disorder, an autoimmune disorder, an autoinflammatory disorder, or an interferonopathy, such as, e.g., lupus erythematosus, dermatomyositis or rheumatoid arthritis.

  本发明提供了化合物的新结构（I）及含有这些化合物的药物组合物。式（I）化合物可以作为CXCR4调节剂，特异性靶向CXCR4小口袋，并且进一步发现能够抑制免疫细胞中炎症细胞因子的产生，使得这些化合物在治疗中具有极大的优势，特别适用于治疗或预防炎症性疾病、自身免疫性疾病、自身炎症性疾病或干扰素病，例如红斑狼疮、皮肌炎或类风湿性关节炎。
• IMIDAZOLINE DERIVATIVES AS CXCR4 MODULATORS
  申请人：Université de Paris

  公开号：US20220144853A1

  公开（公告）日：2022-05-12

  The present invention provides novel compounds of formula (I) and pharmaceutical compositions containing these compounds. The compounds of formula (I) can act as CXCR4 modulators that specifically target the CXCR4 minor pocket, and they have further been found to inhibit the production of inflammatory cytokines in immune cells, which renders these compounds highly advantageous for use in therapy, particularly in the treatment or prevention of an inflammatory disorder, an autoimmune disorder, an autoinflammatory disorder, or an interferonopathy, such as, e.g., lupus erythematosus, dermatomyositis or rheumatoid arthritis.
• Arya,V.P.; Shenoy,S.J., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1976, vol. 14, p. 759 - 762
  作者：Arya,V.P.、Shenoy,S.J.

  DOI：——

  日期：——
• ARYA V. P.; SHENOY S. J., INDIAN J. CHEM. <IJOC-AP>, 1976, B 14, NO 10, 759-762
  作者：ARYA V. P.、 SHENOY S. J.

  DOI：——

  日期：——