Introduction：Basic information about CAS 4298-15-1|Cletoquine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Cletoquine |
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| CAS Number | 4298-15-1 | Molecular Weight | 307.81800 |
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| Density | 1.212 g/cm3 | Boiling Point | 514.7ºC at 760 mmHg |
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| Molecular Formula | C16H22ClN3O | Melting Point | / |
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| MSDS | / | Flash Point | 265.1ºC |
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Names
| Name | 2-[4-[(7-chloroquinolin-4-yl)amino]pentylamino]ethanol |
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| Synonym | More Synonyms |
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Cletoquine BiologicalActivity
| Description | Cletoquine (Desethylhydroxychloroquine) is a major active metabolite of Hydroxychloroquine. Cletoquine is produced in the liver by CYP2D6, CYP3A4, CYP3A5, and CYP2C8 isoenzymes. Cletoquine is also a Chloroquine derivative and has the ability to against the chikungunya virus (CHIKV). Cletoquine has antimalarial effects and has the potential for autoimmune diseases treatment[1][2]. |
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| Related Catalog | Signaling Pathways >>Anti-infection >>Influenza VirusResearch Areas >>InfectionResearch Areas >>Inflammation/Immunology |
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| Target | Chikungunya virus (CHIKV)[2] |
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| In Vivo | Hydroxychloroquine (5 mg/kg intravenously) is administered to BALB/c mice for blood and tissue to determine the content of Cletoquine (Desethylhydroxychloroquine). The tissue to blood concentration ratio (Kp) is ≥1, indicating accumulation of Cletoquine in tissues. The Cletoquine Kp ratio for the various tissues are observed in the descending order of liver (114.3)>kidney (24.4)>spleen (19.3)>lungs (16.5)>heart (5.5)[3]. |
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| References | [1]. Kumar M, et al. Molecular docking studies of chloroquine and its derivatives against P23pro-zbd domain of chikungunya virus: Implication in designing of novel therapeutic strategies. J Cell Biochem. 2019 Oct;120(10):18298-18308. [2]. Charlier B, et al. Development of a novel ion-pairing HPLC-FL method for the separation and quantification of hydroxychloroquine and its metabolites in whole blood. Biomed Chromatogr. 2018 Aug;32(8):e4258. [3]. Chhonker YS, et al. Simultaneous quantitation of hydroxychloroquine and its metabolites in mouse blood and tissues using LC-ESI-MS/MS: An application for pharmacokinetic studies. J Chromatogr B Analyt Technol Biomed Life Sci. 2018 Jan 1;1072:320-327. |
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Chemical & Physical Properties
| Density | 1.212 g/cm3 |
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| Boiling Point | 514.7ºC at 760 mmHg |
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| Molecular Formula | C16H22ClN3O |
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| Molecular Weight | 307.81800 |
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| Flash Point | 265.1ºC |
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| Exact Mass | 307.14500 |
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| PSA | 57.18000 |
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| LogP | 3.51460 |
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| Index of Refraction | 1.623 |
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| InChIKey | XFICNUNWUREFDP-UHFFFAOYSA-N |
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| SMILES | CC(CCCNCCO)Nc1ccnc2cc(Cl)ccc12 |
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Safety Information
Customs
| HS Code | 2933499090 |
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| Summary | 2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| Cletoquine [INN:BAN] |
| GNF-Pf-1952 |
| 2-({4-[(7-chloroquinolin-4-yl)amino]pentyl}amino)ethanol |
| Cletoquine |
| Cletoquina |
| Cletochina |
| Desethylhydroxychloroquine |
| Cletoquinum |
| Cletochina [DCIT] |
