ML198

• CAT Number: I032414
• CAS Number: 1380716-06-2
• Molecular Formula: C17H14N4O
• Molecular Weight: 290.32
• Purity: ≥95%
• Synonyms: N-(4-ethynylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• InChI: InChI=1S/C17H14N4O/c1-4-13-5-7-14(8-6-13)20-17(22)15-10-18-21-12(3)9-11(2)19-16(15)21/h1,5-10H,2-3H3,(H,20,22)
• InChIKey: HVZPJBKUFRREQC-UHFFFAOYSA-N
• SMILES: CC1=CC(=NC2=C(C=NN12)C(=O)NC3=CC=C(C=C3)C#C)C

ML198 is a glucocerebrosidase (GCase) modulator with an EC50 of 0.4 μM. ML198 is an activator and non-inhibitory chaperone of glucocerebrosidase. ML198 can be used for the research of Gaucher disease[1]. ML198 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
ML198 is stable in D-PBS pH 7.4 at room temperature over 48 hr[1].
ML198 increases translocation of GCase to the lysosome (20% cell translocation at 5 µM, compared to 5% of DMSO) in human fibroblasts[1].
ML198 shows promising microsomal stability and Caco-2 permeability, with low water solubility[1].

Reference

[1]. Steven Rogers, et al. Discovery, SAR, and Biological Evaluation of Non-inhibitory Chaperones of Glucocerebrosidase.
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