2-(2,6-二氟苯基)-3-(4,5-二甲基-1,3-噻唑-2-基)-1,3-噻唑烷-4-酮 | 924648-13-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 2-(2,6-二氟苯基)-3-(4,5-二甲基-1,3-噻唑-2-基)-1,3-噻唑烷-4-酮
• 英文名称: 2-(2,6-Difluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
• CAS: 924648-13-5
• 化学式: C₁₄H₁₂F₂N₂OS₂
• 分子量: 326.391
• InChiKey: AXFXOBANCCBRDV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  86.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-氨基-4,5-二甲基噻唑 、 2,6-二氟苯甲醛 、 巯基乙酸 以 甲苯 为溶剂， 以52%的产率得到2-(2,6-二氟苯基)-3-(4,5-二甲基-1,3-噻唑-2-基)-1,3-噻唑烷-4-酮
  参考文献：
  名称：

  Design, synthesis, and evaluation of 2-aryl-3-heteroaryl-1,3-thiazolidin-4-ones as anti-HIV agents

  摘要：

  Compounds having isothiourea or thiourea functional group have shown high anti-HIV-1 activity. Therefore, a series of 2-aryl-3-heteroaryl-1,3-thiazolidin-4-ones were designed, synthesized, and evaluated for anti-HIV-1 RT activity. The results of in vitro tests showed that the compound 9 exhibited EC50 at 0.26 mu M with minimal toxicity in MT-4 cells as compared to 0.35 mu M for thiazobenzimidazole (TBZ). It may be inferred from the present data that majority of compounds in this series exhibit higher selectivity index than TBZ. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2006.12.003

文献信息

• Design, synthesis, and evaluation of 2-aryl-3-heteroaryl-1,3-thiazolidin-4-ones as anti-HIV agents
  作者：Ravindra K. Rawal、Rajkamal Tripathi、S.B. Katti、Christophe Pannecouque、Erik De Clercq

  DOI：10.1016/j.bmc.2006.12.003

  日期：2007.2

  Compounds having isothiourea or thiourea functional group have shown high anti-HIV-1 activity. Therefore, a series of 2-aryl-3-heteroaryl-1,3-thiazolidin-4-ones were designed, synthesized, and evaluated for anti-HIV-1 RT activity. The results of in vitro tests showed that the compound 9 exhibited EC50 at 0.26 mu M with minimal toxicity in MT-4 cells as compared to 0.35 mu M for thiazobenzimidazole (TBZ). It may be inferred from the present data that majority of compounds in this series exhibit higher selectivity index than TBZ. (c) 2006 Elsevier Ltd. All rights reserved.