JAN88576

• CAT Number: I029723
• CAS Number: 2306388-57-6
• Molecular Formula: C20H13F6NO4
• Molecular Weight: 445.3174
• Purity: 98%
• Synonyms: PROTAC ERRα ligand 2; JAN88576; JAN-88576; JAN 88576
• Target: Estrogen Receptor/ERR
• Solubility: To be determined
• Appearance: Solid powder
• Storage: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
• IUPAC Name: (E)-3-(4-((2,4-bis(trifluoromethyl)benzyl)oxy)-3-methoxyphenyl)-2-cyanoacrylic acid
• InChI: InChI=1S/C20H13F6NO4/c1-30-17-7-11(6-13(9-27)18(28)29)2-5-16(17)31-10-12-3-4-14(19(21,22)23)8-15(12)20(24,25)26/h2-8H,10H2,1H3,(H,28,29)/b13-6+
• InChIKey: JRWKJGIKIBTXMV-AWNIVKPZSA-N
• SMILES: O=C(O)/C(C#N)=C/C1=CC(OC)=C(C=C1)OCC2=CC=C(C(F)(F)F)C=C2C(F)(F)F

JAN88576, also known as PROTAC ERRα ligand 2, is an estrogen-related receptor α (ERRα) inverse agonist with an IC50 of 5.67 nM. This compound was first reported in ACS Medicinal Chemistry Letters (2019), 10, (5), 767-772. (compound 4a). This product has no formal name at the moment. For the convenience of communication, a temporary code name was therefore proposed according to MedKoo Chemical Nomenclature (see web page: https://www.medkoo.com/page/naming).