4-甲基环己基异硫氰酸酯 | 1019442-91-1

• 分子结构分类: 有机化合物 - 有机硫化合物 - 异硫氰酸盐
• 中文名称: 4-甲基环己基异硫氰酸酯
• 英文名称: 4-methylcyclohexyl isothiocyanate
• 英文别名: 1-isothiocyanato-4-methylcyclohexane
• CAS: 1019442-91-1
• 化学式: C₈H₁₃NS
• 分子量: 155.264
• InChiKey: QCHNUDKFNFZWOF-UHFFFAOYSA-N

物化性质

• 沸点：
  235.8±7.0 °C(Predicted)
• 密度：
  1.06±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  44.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-甲基环己基异硫氰酸酯 、 氟西汀 在 乙腈 作用下， 以 乙腈 为溶剂， 以64%的产率得到1-methyl-3-(4-methylcyclohexyl)-1-[3-phenyl-3-(4-trifluoromethylphenoxy)propyl]thiourea
  参考文献：
  名称：

  Substituted urea/thiourea derived from fluoxetine as potent appetite suppressants

  摘要：

  A series of urea and thiourea analogues of fluoxetine (5-17) were synthesized and evaluated for their anorexigenic and antidepressant activities. The related conformationally restrained analogues (20-23) were also prepared for structure-activity relationship (SAR) studies. Many of these derivatives (5, 6, 8, 10, 12, 13, 16, and 23) exhibited significant anorexigenic activity and interestingly were devoid of antidepressant activity, thus emerging as a promising tool for further research work.

  DOI：

  10.1007/s00044-007-9041-8
• 作为产物：
  描述：

  二硫化碳 、 1-氨基-4-甲基环己烷 在 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 生成 4-甲基环己基异硫氰酸酯
  参考文献：
  名称：

  Substituted urea/thiourea derived from fluoxetine as potent appetite suppressants

  摘要：

  A series of urea and thiourea analogues of fluoxetine (5-17) were synthesized and evaluated for their anorexigenic and antidepressant activities. The related conformationally restrained analogues (20-23) were also prepared for structure-activity relationship (SAR) studies. Many of these derivatives (5, 6, 8, 10, 12, 13, 16, and 23) exhibited significant anorexigenic activity and interestingly were devoid of antidepressant activity, thus emerging as a promising tool for further research work.

  DOI：

  10.1007/s00044-007-9041-8

文献信息

• [EN] TARGETED BIFUNCTIONAL DEGRADERS<br/>[FR] AGENTS DE DÉGRADATION BIFONCTIONNELS CIBLÉS
  申请人：UNIV YALE

  公开号：WO2021072269A1

  公开（公告）日：2021-04-15

  The present invention provides, in one aspect, bifunctional compounds that can be used to promote or enhance degradation of certain circulating proteins. In another aspect, the present invention provides bifunctional compounds that can be used to promote or enhance degradation of certain autoantibodies. In certain embodiments, treatment or management of a disease and/or disorder requires degradation, removal, or reduction in concentration of the circulating protein or the autoantibody in the subject. Thus, in certain embodiments, administration of a compound of the invention to the subject removes or reduces the circulation concentration of the circulating protein or the autoantibody, thus treating, ameliorating, or preventing the disease and/or disorder. In certain embodiments, the circulating protein is TNF.

  本发明在一个方面提供了可以用来促进或增强降解某些循环蛋白的双功能化合物。在另一个方面，本发明提供了可以用来促进或增强降解某些自身抗体的双功能化合物。在某些实施方式中，治疗或管理疾病和/或疾病需要降解、去除或减少受试者体内循环蛋白或自身抗体的浓度。因此，在某些实施方式中，将本发明的化合物给予受试者可去除或减少循环蛋白或自身抗体的循环浓度，从而治疗、改善或预防疾病和/或疾病。在某些实施方式中，循环蛋白是TNF。
• Substituted urea/thiourea derived from fluoxetine as potent appetite suppressants
  作者：Kalpana Bhandari、Nagarapu Srinivas、Lata Sharma、Shipra Srivastava、Amar Nath、Chandishwar Nath

  DOI：10.1007/s00044-007-9041-8

  日期：2008.6

  A series of urea and thiourea analogues of fluoxetine (5-17) were synthesized and evaluated for their anorexigenic and antidepressant activities. The related conformationally restrained analogues (20-23) were also prepared for structure-activity relationship (SAR) studies. Many of these derivatives (5, 6, 8, 10, 12, 13, 16, and 23) exhibited significant anorexigenic activity and interestingly were devoid of antidepressant activity, thus emerging as a promising tool for further research work.