N-(2-Adamantyl)-N'-cyclohexylthioharnstoff

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫脲类
• 英文名称: N-(2-Adamantyl)-N'-cyclohexylthioharnstoff
• 英文别名: 1-(2-Adamantyl)-3-cyclohexylthiourea
• 化学式: C₁₇H₂₈N₂S
• 分子量: 292.489
• InChiKey: YFVCQJDJYORFAX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  56.2
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-(chloromethyl)-5,6-dihydroimidazo[2,1-b]thiazole hydrochloride 、 N-(2-Adamantyl)-N'-cyclohexylthioharnstoff 以 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Orally Bioavailable Isothioureas Block Function of the Chemokine Receptor CXCR4 In Vitro and In Vivo

  摘要：

  The interaction of the chemokine receptor CXCR4 with its ligand CXCL12 is involved in many biological processes such as hematopoesis, migration of immune cells, as well as in cancer metastasis. CXCR4 also mediates the infection of T-cells with X4-tropic HIV functioning as a coreceptor for the viral envelope protein gp120. Here, we describe highly potent, selective CXCR4 inhibitors that block CXCR4/CXCL12 interactions in vitro and in vivo Lis well as the infection of target cells by X4-tropic HIV.

  DOI：

  10.1021/jm801065q
• 作为产物：
  描述：

  2-金刚烷胺盐酸盐 、 环己基异硫氰酸脂 在 乙醇 、 sodium 作用下， 反应 2.0h， 以89%的产率得到N-(2-Adamantyl)-N'-cyclohexylthioharnstoff
  参考文献：
  名称：

  Kreutzberger; Tantawy, Arzneimittel-Forschung/Drug Research, 1983, vol. 33, # 4, p. 512 - 514

  摘要：

  DOI：

文献信息

• Orally Bioavailable Isothioureas Block Function of the Chemokine Receptor CXCR4 In Vitro and In Vivo
  作者：Gebhard Thoma、Markus B. Streiff、Jiri Kovarik、Fraser Glickman、Trixie Wagner、Christian Beerli、Hans-Günter Zerwes

  DOI：10.1021/jm801065q

  日期：2008.12.25

  The interaction of the chemokine receptor CXCR4 with its ligand CXCL12 is involved in many biological processes such as hematopoesis, migration of immune cells, as well as in cancer metastasis. CXCR4 also mediates the infection of T-cells with X4-tropic HIV functioning as a coreceptor for the viral envelope protein gp120. Here, we describe highly potent, selective CXCR4 inhibitors that block CXCR4/CXCL12 interactions in vitro and in vivo Lis well as the infection of target cells by X4-tropic HIV.
• Kreutzberger; Tantawy, Arzneimittel-Forschung/Drug Research, 1983, vol. 33, # 4, p. 512 - 514
  作者：Kreutzberger、Tantawy

  DOI：——

  日期：——