2-(Butylamino)-6-chloro-4-[3-(7-chloro-4-quinolylamino)propylamino]-1,3,5-triazine
We herein report the synthesis of a 7-chloro-aminoquinoline triazine conjugate. The s-triazine library was generated by stepwise nucleophilic substitution of cyanuric chloride with butylamine. The structure of the compound was comprehensively determined using various analytical techniques, including...
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| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2024-10-01
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| Series: | Molbank |
| Subjects: | |
| Online Access: | https://www.mdpi.com/1422-8599/2024/4/M1895 |
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| Summary: | We herein report the synthesis of a 7-chloro-aminoquinoline triazine conjugate. The s-triazine library was generated by stepwise nucleophilic substitution of cyanuric chloride with butylamine. The structure of the compound was comprehensively determined using various analytical techniques, including proton nuclear magnetic resonance (<sup>1</sup>H NMR), carbon-13 nuclear magnetic resonance (<sup>13</sup>C NMR), heteronuclear single quantum coherence (HSQC), and Distortionless Enhancement by Polarization Transfer (DEPT-135) experiments. Additionally, ultraviolet (UV) spectroscopy, Fourier-transform infrared (FTIR) spectroscopy, and high-resolution mass spectrometry (HRMS) were employed for full characterization. Preliminary studies explored the potential interaction of the molecule with dihydrofolate reductase (DHFR) using molecular modeling. Furthermore, its drug-likeness was assessed by predicting relevant pharmacokinetic properties. |
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| ISSN: | 1422-8599 |