JAN88576
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    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 555988

CAS#: 2306388-57-6

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).


Chemical Structure

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JAN88576
CAS# 2306388-57-6

Theoretical Analysis

MedKoo Cat#: 555988
Name: JAN88576
CAS#: 2306388-57-6
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

Price and Availability

Size Price Availability Quantity
100.0mg USD 950.0 2 Weeks
200.0mg USD 1650.0 2 Weeks
500.0mg USD 2650.0 2 Weeks
1.0g USD 3650.0 2 Weeks
2.0g USD 5950.0 2 Weeks
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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

Preparing Stock Solutions

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.

Recalculate based on batch purity %
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

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JAN88576

100.0mg / USD 950.0