CAS 303175-44-2|Zapnometinib

Introduction：Basic information about CAS 303175-44-2|Zapnometinib, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Zapnometinib BiologicalActivity
3. Chemical & Physical Properties
4. Synonyms

Common Name	Zapnometinib
CAS Number	303175-44-2	Molecular Weight	409.55
Density	/	Boiling Point	/
Molecular Formula	C₁₃H₇ClF₂INO₂	Melting Point	/
MSDS	/	Flash Point	/

Names

Name	2-(2-chloro-4-iodoanilino)-3,4-difluorobenzoic acid
Synonym	More Synonyms

Zapnometinib BiologicalActivity

Description	Zapnometinib (PD0184264), an active metabolite of CI-1040, is a MEK inhibitor, with an IC50 of 5.7 nM. Zapnometinib exhibits antiviral activity against influenza virus and antibacterial activities[1][2][3].
Related Catalog	Signaling Pathways >>Anti-infection >>Influenza VirusResearch Areas >>CancerSignaling Pathways >>MAPK/ERK Pathway >>MEKResearch Areas >>InfectionSignaling Pathways >>Anti-infection >>Bacterial
Target	MEK:5.7 nM (IC50)
In Vitro	Zapnometinib (0.1 nM-1 μM) inhibits MEK, with IC50s of 30.96 nM, 357 nM, and 15 nM in cell free kinase assay, A549, MDCK cells and human PBMCs[1]. Zapnometinib (100 μM; 4 h) inhibits the Ionomycin (PMA/I)-induced phosphorylation of ERK1/2 in human PBMCs[1]. Zapnometinib (1-100 μM) reduces the viral titers of the IV H1N1pdm09, H3N2[1]. Western Blot Analysis[1] Cell Line: human PBMCs Concentration: 100 μM Incubation Time: 4 h Result: Inhibited the Ionomycin (PMA/I)-increased pERK1/2.
In Vivo	Zapnometinib (8.4-75 mg/kg/day; three times a day p.o.) reduces the lung virus titers and enhances survival of mice after lethal H1N1pdm09 infection[1]. Zapnometinib (150 mg/kg) exhibits AUC values of 860.02 and 1953.68 μg•h/mL in mice by i.v. or oral route, respectively[1]. Animal Model: Female C57BL/6 mice (8 weeks; 21-24 g) were infected with H1N1pdm09[1] Dosage: 8.4, 25, 75 mg/kg/day (2.8, 8.4, 25 mg/kg) Administration: P.o. three times a day Result: Significantly reduced the virus titer at the dose of either 75 mg/kg/day or 25 mg/kg/day.
References	[1]. Laure M, et, al. Antiviral efficacy against influenza virus and pharmacokinetic analysis of a novel MEK-inhibitor, ATR-002, in cell culture and in the mouse model. Antiviral Res. 2020 Jun;178:104806. [2]. Hamza H, et, al. Improved in vitro Efficacy of Baloxavir Marboxil Against Influenza A Virus Infection by Combination Treatment With the MEK Inhibitor ATR-002. Front Microbiol. 2021 Feb 12;12:611958. [3]. Bruchhagen C, et, al. Metabolic conversion of CI-1040 turns a cellular MEK-inhibitor into an antibacterial compound. Sci Rep. 2018 Jun 14;8(1):9114.

Chemical & Physical Properties

Molecular Formula	C₁₃H₇ClF₂INO₂
Molecular Weight	409.55
Exact Mass	408.91800
PSA	49.33000
LogP	4.73760
InChIKey	XCNBGWKQXRQKSA-UHFFFAOYSA-N
SMILES	O=C(O)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl

Synonyms

2,8-dimercapto-6-hydroxypurine hydrate,1gr

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