| Identification | Back Directory | [Name]
SMS2-IN-1 | [CAS]
2098890-15-2 | [Synonyms]
JUN90152
SMS2-IN-1
1-methylcyclopropyl 4-(3-((3-((3,5-bis(trifluoromethyl)benzyl)(methyl)carbamoyl)-1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy)propyl)piperidine-1-carboxylate | [Molecular Formula]
C34H37F6N3O5 | [MDL Number]
MFCD31813610 | [MOL File]
2098890-15-2.mol | [Molecular Weight]
681.67 |
| Chemical Properties | Back Directory | [Boiling point ]
685.7±55.0 °C(Predicted) | [density ]
1.37±0.1 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
DMSO : 27.78 mg/mL (40.75 mM; Need ultrasonic) | [form ]
Solid | [pka]
-1.20±0.20(Predicted) | [color ]
White to off-white |
| Hazard Information | Back Directory | [Uses]
SMS2-IN-1 is a potent and highly selective sphingomyelin synthase 2 (SMS2) inhibitor with an IC50 of 6.5 nM and a Kd of 37 nM. SMS2-IN-1 shows 150-fold selectivity for SMS2 over SMS1 (IC50 of 1000 nM)[1]. | [storage]
Store at -20°C | [References]
[1] Adachi R, et al. Discovery and characterization of selective human sphingomyelin synthase 2 inhibitors. Eur J Med Chem. 2017 Aug 18;136:283-293. DOI:10.1016/j.ejmech.2017.04.067 |
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