WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 555988
Description: 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).
MedKoo Cat#: 555988
Chemical Formula: C20H13F6NO4
Exact Mass: 445.0749
Molecular Weight: 445.3174
Elemental Analysis: C, 53.94; H, 2.94; F, 25.60; N, 3.15; O, 14.37
Synonym: PROTAC ERRα ligand 2; JAN88576; JAN-88576; JAN 88576;
IUPAC/Chemical Name: (E)-3-(4-((2,4-bis(trifluoromethyl)benzyl)oxy)-3-methoxyphenyl)-2-cyanoacrylic acid
InChi Key: JRWKJGIKIBTXMV-AWNIVKPZSA-N
InChi Code: 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+
SMILES Code: 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
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: To be determined
Shelf Life: >2 years if stored properly
Drug Formulation: To be determined
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
The following data is based on the product molecular weight 445.3174 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
|Concentration / Solvent Volume / Mass||1 mg||5 mg||10 mg|
|1 mM||1.15 mL||5.76 mL||11.51 mL|
|5 mM||0.23 mL||1.15 mL||2.3 mL|
|10 mM||0.12 mL||0.58 mL||1.15 mL|
|50 mM||0.02 mL||0.12 mL||0.23 mL|