| Identification | Back Directory | [Name]
[1(2H),4'-Bipyridin]-2-one, 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-2'-[2-(1-hydroxy-1-methylethyl)-4-pyrimidinyl]-5',6-dimethyl-, (2'S)- | [CAS]
1640282-42-3 | [Synonyms]
ATI-450
Zunsemetinib
[1(2H),4'-Bipyridin]-2-one, 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-2'-[2-(1-hydroxy-1-methylethyl)-4-pyrimidinyl]-5',6-dimethyl-, (2'S)- | [Molecular Formula]
C25H22ClF2N5O3 | [MOL File]
1640282-42-3.mol | [Molecular Weight]
513.93 |
| Chemical Properties | Back Directory | [Boiling point ]
680.4±55.0 °C(Predicted) | [density ]
1.45±0.1 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
DMSO:100.0(Max Conc. mg/mL);194.58(Max Conc. mM) | [form ]
Solid | [pka]
13.52±0.29(Predicted) | [color ]
White to yellow | [InChI]
InChI=1S/C25H22ClF2N5O3/c1-13-10-30-18(17-5-6-29-24(32-17)25(3,4)35)9-20(13)33-14(2)7-21(22(26)23(33)34)36-12-19-16(28)8-15(27)11-31-19/h5-11,35H,12H2,1-4H3 | [InChIKey]
FQPQMJULRZINPV-UHFFFAOYSA-N | [SMILES]
O=C1C(=C(OCC2N=CC(F)=CC=2F)C=C(C)N1C1=C(C=NC(C2C=CN=C(C(O)(C)C)N=2)=C1)C)Cl |
| Hazard Information | Back Directory | [Uses]
Zunsemetinib (CDD-450) is an orally active and selective p38α mitogen-activated protein kinase-activated protein kinase 2 (MK2) pathway inhibitor. Zunsemetinib can be used for the research of immuno-inflammatory diseases[1]. | [in vivo]
Zunsemetinib (1,000 ppm; p.o.) blocks LPS-induced TNF-α expression persisted for up to 4 weeks after dosing[1].
Zunsemetinib (10 and 20 mg/kg; p.o.) increases bone density[1].
Zunsemetinib prevents osteopenia in NOM IDc mice through inhibition of osteoclastogenesis[1]. | Animal Model: | 8-week-old WT female mice[1] | | Dosage: | 1,000 ppm | | Administration: | P.o. | | Result: | Blocked LPS-induced TNF-α expression persisted for up to 4 weeks after dosing.
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| Animal Model: | Rats[1] | | Dosage: | 10 and 20 mg/kg | | Administration: | P.o. | | Result: | Increased bone density.
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| [storage]
Store at -20°C | [References]
[1] Zunsemetinib (ATI-450) – Investigational oral MK2 pathway inhibitor
[2] Aclaris Therapeutics Announces ATI-450 (MK2 pathway Inhibitor) publication in Journal of Experimental Medicine
[3] Wang C, et al. Selective inhibition of the p38α MAPK-MK2 axis inhibits inflammatory cues including inflammasome priming signals. J Exp Med. 2018;215(5):1315-1325. DOI:10.1084/jem.20172063 |
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