ACSS2-IN-2

• CAT Number: I042888
• CAS Number: 2332820-04-7
• Molecular Formula: C21H19F2N3O4
• Molecular Weight: 415.39
• Purity: ≥95%
• Synonyms: methyl 3-[4-[[3-(1,1-difluoroethyl)phenyl]carbamoyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzoate
• InChI: InChI=1S/C21H19F2N3O4/c1-12-17(18(27)24-15-8-5-7-14(11-15)21(2,22)23)19(28)26(25-12)16-9-4-6-13(10-16)20(29)30-3/h4-11,17H,1-3H3,(H,24,27)
• InChIKey: CYQWPQYTOFVAIL-UHFFFAOYSA-N
• SMILES: CC1=NN(C(=O)C1C(=O)NC2=CC=CC(=C2)C(C)(F)F)C3=CC=CC(=C3)C(=O)OC

ACSS2-IN-2 is an acyl-CoA synthetase short-chain family member 2 (ACSS2) inhibitor. ACSS2-IN-2 can inhibit ACSS2 activity with an IC50 value of 3.8 nM. ACSS2-IN-2 can be used for the research of several diseases, such as viral infection, metabolic disorders, neuropsychiatric diseases, inflammatory/autoimmune conditions and cancer[1].
ACSS2-IN-2 (Compound 261) (5 h) has ACSS2 inhibitory activity with an IC50 value of 3.8 nM in MDA-MB-468 cells[1].

Reference

[1]. Philippe Nakache, et al. Acss2 inhibitors and methods of use thereof. Patent. WO2019097515A1.