Identification | Back Directory | [Name]
1,2-Benzisoxazol-3-amine, 4-[(2-chloro-5-fluorophenyl)methoxy]-N-3-pyridinyl- | [CAS]
2241838-28-6 | [Synonyms]
SMS2 inhibitors SMS2 inhibitor 2 Inhibitor,SMS-2-IN-2,SMS2 IN 2,SMS2IN2,inhibit 1,2-Benzisoxazol-3-amine, 4-[(2-chloro-5-fluorophenyl)methoxy]-N-3-pyridinyl- | [Molecular Formula]
C19H13ClFN3O2 | [MDL Number]
MFCD32062753 | [MOL File]
2241838-28-6.mol | [Molecular Weight]
369.78 |
Chemical Properties | Back Directory | [Boiling point ]
565.7±45.0 °C(Predicted) | [density ]
1.423±0.06 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
DMSO : 125 mg/mL (338.04 mM; Need ultrasonic) | [form ]
Solid | [pka]
4.62±0.11(Predicted) | [color ]
White to off-white |
Hazard Information | Back Directory | [Uses]
SMS2-IN-2 is a potent, highly selective and orally active sphingomyelin synthase 2 (SMS2) inhibitor, with IC50s of 100 nM and 56 μM for SMS2 and SMS1, respectively. Anti-chronic inflammatory activity[1]. | [in vivo]
SMS2-IN-2 (Compound 15w; 20, 50 mg/kg/day, p.o. for 6 weeks) reduces chronic inflammation in the db/db mice[1]. Animal Model: | Type 2 diabetes mellitus (T2DM) db/db mouse model (four-to-five week)[1] | Dosage: | 20, 50 mg/kg/day | Administration: | P.O. daily for 6 weeks | Result: | Significantly reduced IL-6 and insulin levels. |
| [References]
[1] Mo M, et al. Discovery of 4-Benzyloxybenzo[ d]isoxazole-3-amine Derivatives as Highly Selective and Orally Efficacious Human Sphingomyelin Synthase 2 Inhibitors that Reduce Chronic Inflammation in db/ db Mice. J Med Chem. 2018 Sep 27;61(18):8241-8254. DOI:10.1021/acs.jmedchem.8b00727 |
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