piperazine-1-carbothioic acid[3-(7-chloro-quinolin-4-ylamino)-propyl]-amide | 1257410-25-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: piperazine-1-carbothioic acid[3-(7-chloro-quinolin-4-ylamino)-propyl]-amide
• 英文别名: N-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazine-1-carbothioamide
• CAS: 1257410-25-5
• 化学式: C₁₇H₂₂ClN₅S
• 分子量: 363.914
• InChiKey: AYJMJMXDTYJXLZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  84.3
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  hematin 、 piperazine-1-carbothioic acid[3-(7-chloro-quinolin-4-ylamino)-propyl]-amide 以 水 、 二甲基亚砜 为溶剂， 生成
  参考文献：
  名称：

  4-Aminoquinoline derived antimalarials: Synthesis, antiplasmodial activity and heme polymerization inhibition studies

  摘要：

  A new series of 4-aminoquinoline derivatives have been synthesized and found to be active against both susceptible and resistant strains of Plasmodium falciparum in vitro. Compound 1-[3-(7-chloro-quinolin-4-ylamino)-propyl]-3-cyclopropyl-thiourea (7) exhibited superior in vitro activity against resistant strains of P. falciparum as compared to chloroquine (CQ). All the compounds showed resistance factor between 0.59 and 4.31 as against 5.05 for CQ. Spectroscopic studies suggested that this class of compounds act on heme polymerization target. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.07.068
• 作为产物：
  描述：

  哌嗪 、 [3-(7-chloro-quinolin-4-ylamino)-propyl]dithiocarbamic acid methyl ester 以72%的产率得到piperazine-1-carbothioic acid[3-(7-chloro-quinolin-4-ylamino)-propyl]-amide
  参考文献：
  名称：

  4-Aminoquinoline derived antimalarials: Synthesis, antiplasmodial activity and heme polymerization inhibition studies

  摘要：

  A new series of 4-aminoquinoline derivatives have been synthesized and found to be active against both susceptible and resistant strains of Plasmodium falciparum in vitro. Compound 1-[3-(7-chloro-quinolin-4-ylamino)-propyl]-3-cyclopropyl-thiourea (7) exhibited superior in vitro activity against resistant strains of P. falciparum as compared to chloroquine (CQ). All the compounds showed resistance factor between 0.59 and 4.31 as against 5.05 for CQ. Spectroscopic studies suggested that this class of compounds act on heme polymerization target. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.07.068

文献信息

• 4-Aminoquinoline derived antimalarials: Synthesis, antiplasmodial activity and heme polymerization inhibition studies
  作者：V.R. Solomon、W. Haq、M. Smilkstein、Kumkum Srivastava、Sunil K. Puri、S.B. Katti

  DOI：10.1016/j.ejmech.2010.07.068

  日期：2010.11

  A new series of 4-aminoquinoline derivatives have been synthesized and found to be active against both susceptible and resistant strains of Plasmodium falciparum in vitro. Compound 1-[3-(7-chloro-quinolin-4-ylamino)-propyl]-3-cyclopropyl-thiourea (7) exhibited superior in vitro activity against resistant strains of P. falciparum as compared to chloroquine (CQ). All the compounds showed resistance factor between 0.59 and 4.31 as against 5.05 for CQ. Spectroscopic studies suggested that this class of compounds act on heme polymerization target. (C) 2010 Elsevier Masson SAS. All rights reserved.