4298-15-1

4298-15-1 structure

Name: Cletoquine
Chemical Name: 2-[4-[(7-chloroquinolin-4-yl)amino]pentylamino]ethanol
CAS Number: 4298-15-1
Molecular Formula: C₁₆H₂₂ClN₃O
Molecular Weight: 307.81800
Catalog: Signaling Pathways Anti-infection Influenza Virus
Create Date: 2018-03-23 08:00:00
Modify Date: 2024-01-02 11:33:32
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].

Name	2-[4-[(7-chloroquinolin-4-yl)amino]pentylamino]ethanol
Synonyms	Cletoquine [INN:BAN] GNF-Pf-1952 2-({4-[(7-chloroquinolin-4-yl)amino]pentyl}amino)ethanol Cletoquine Cletoquina Cletochina Desethylhydroxychloroquine Cletoquinum Cletochina [DCIT]

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].
Related Catalog	Signaling Pathways >> Anti-infection >> Influenza Virus Research Areas >> Infection Research Areas >> Inflammation/Immunology
Target	Chikungunya virus (CHIKV)[2]
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].
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.

Density	1.212 g/cm3
Boiling Point	514.7ºC at 760 mmHg
Molecular Formula	C₁₆H₂₂ClN₃O
Molecular Weight	307.81800
Flash Point	265.1ºC
Exact Mass	307.14500
PSA	57.18000
LogP	3.51460
Index of Refraction	1.623

HS Code	2933499090

HS Code	2933499090
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%