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2281803-33-4

2281803-33-4 Structure

2281803-33-4 Structure
IdentificationBack Directory
[Name]

Benzamide, N-[[12-[4-[2-(difluoromethyl)-1H-benzimidazol-1-yl]-6-(4-morpholinyl)-1,3,5-triazin-2-yl]-14-hydroxy-3,6,9-trioxa-12-azatetradec-1-yl]oxy]-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-
[CAS]

2281803-33-4
[Synonyms]

Benzamide, N-[[12-[4-[2-(difluoromethyl)-1H-benzimidazol-1-yl]-6-(4-morpholinyl)-1,3,5-triazin-2-yl]-14-hydroxy-3,6,9-trioxa-12-azatetradec-1-yl]oxy]-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-
[Molecular Formula]

C38H41F5IN9O7
[MOL File]

2281803-33-4.mol
[Molecular Weight]

957.68
Chemical PropertiesBack Directory
[density ]

1.62±0.1 g/cm3(Predicted)
[pka]

14.36±0.10(Predicted)
Hazard InformationBack Directory
[Uses]

MEK/PI3K-IN-2 (compound 6s) is a potent MEK/PI3K inhibitor, with IC50 values of 352 nM (MEK1), 107 nM (PI3Kα), and 137 nM (PI3Kδ), respectively. MEK/PI3K-IN-2 suppresses pAKT and pERK1/2 levels. MEK/PI3K-IN-2 shows anti-proliferative activity against tumor cell lines[1].
[IC 50]

MEK1: 352 ± 2 nM (IC50); PI3Kα: 107 ± 21 nM (IC50); PI3Kδ: 137 ± 7 nM (IC50); PI3Kγ: 2567 ± 364 nM (IC50); PI3Kβ: 3880 ± 725 nM (IC50)
[References]

[1] Van Dort ME, et al. Structural effects of morpholine replacement in ZSTK474 on Class I PI3K isoform inhibition: Development of novel MEK/PI3K bifunctional inhibitors. Eur J Med Chem. 2022 Feb 5;229:113996. DOI:10.1016/j.ejmech.2021.113996
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