[2,4-Diisopropyl-6-[(5-nitrothiazol-2-yl)carbamoyl]phenyl] acetate | 1415566-93-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [2,4-Diisopropyl-6-[(5-nitrothiazol-2-yl)carbamoyl]phenyl] acetate
• 英文别名: [2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]-4,6-di(propan-2-yl)phenyl] acetate
• CAS: 1415566-93-6
• 化学式: C₁₈H₂₁N₃O₅S
• 分子量: 391.448
• InChiKey: VLUAZLLLNSIGIQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  142
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2-acetoxy-3,5-diisopropylbenzoic acid 在 草酰氯 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 [2,4-Diisopropyl-6-[(5-nitrothiazol-2-yl)carbamoyl]phenyl] acetate
  参考文献：
  名称：

  Development of 5-nitrothiazole derivatives: Identification of leads against both replicative and latent Mycobacterium tuberculosis

  摘要：

  Twenty eight 5-nitrothiazole derivatives were synthesized and evaluated for in vitro activities against Mycobacterium tuberculosis (MTB), cytotoxicity against HEK 293T. Among the compounds, 5-nitro-N-(5-nitrothiazol-2-yl)furan-2-carboxamide (20) was found to be the most active compound in vitro with MICs of 5.48 mu M against log-phase culture of MTB and also non-toxic up to 100 mu M. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.10.060

文献信息

• Development of 5-nitrothiazole derivatives: Identification of leads against both replicative and latent Mycobacterium tuberculosis
  作者：Variam Ullas Jeankumar、Manoj Chandran、Ganesh Samala、Mallika Alvala、Pulla Venkat Koushik、Perumal Yogeeswari、Elena G. Salina、Dharmarajan Sriram

  DOI：10.1016/j.bmcl.2012.10.060

  日期：2012.12

  Twenty eight 5-nitrothiazole derivatives were synthesized and evaluated for in vitro activities against Mycobacterium tuberculosis (MTB), cytotoxicity against HEK 293T. Among the compounds, 5-nitro-N-(5-nitrothiazol-2-yl)furan-2-carboxamide (20) was found to be the most active compound in vitro with MICs of 5.48 mu M against log-phase culture of MTB and also non-toxic up to 100 mu M. (C) 2012 Elsevier Ltd. All rights reserved.