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
Product data Instruction

Theoretical Analysis

MedKoo Cat#: 555988
Name: JAN88576
CAS#: 2306388-57-6
Chemical Formula: C20H13F6NO4
Exact Mass: 445.07
Molecular Weight: 445.317
Elemental Analysis: C, 53.94; H, 2.94; F, 25.60; N, 3.15; O, 14.37

Price and Availability

Size Price Availability Quantity
100mg USD 950 2 Weeks
200mg USD 1650 2 Weeks
500mg USD 2650 2 Weeks
1g USD 3650 2 Weeks
2g USD 5950 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

More Info:

Product Data:
Product Data
Instruction:
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Biological target: PROTAC ERRα ligand 2 is an estrogen-related receptor α (ERRα) inverse agonist with an IC50 of 5.67 nM. PROTAC ERRα ligand 2 (IC50=5.67 nM) displays a ~11-fold improved potency than XCT790 (IC50=61.3 nM).
In vitro activity: One of the representative compounds 6c (PROTAC ERRα ligand 2) is capable of specifically degrading ERRα protein by >80% at a relatively low concentration of 30 nM, becoming one of the most potent and selective ERRα degraders to date. Compound 6c could be utilized as a new powerful research tool for further biological investigation of ERRα. Reference: ACS Med Chem Lett. 2019 Apr 12;10(5):767-772. https://pubmed.ncbi.nlm.nih.gov/31097997/
In vivo activity: TBD

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 62.5 140.35

Preparing Stock Solutions

The following data is based on the product molecular weight 445.32 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
Formulation protocol: 1. Peng L, Zhang Z, Lei C, Li S, Zhang Z, Ren X, Chang Y, Zhang Y, Xu Y, Ding K. Identification of New Small-Molecule Inducers of Estrogen-related Receptor α (ERRα) Degradation. ACS Med Chem Lett. 2019 Apr 12;10(5):767-772. doi: 10.1021/acsmedchemlett.9b00025. PMID: 31097997; PMCID: PMC6512006.
In vitro protocol: 1. Peng L, Zhang Z, Lei C, Li S, Zhang Z, Ren X, Chang Y, Zhang Y, Xu Y, Ding K. Identification of New Small-Molecule Inducers of Estrogen-related Receptor α (ERRα) Degradation. ACS Med Chem Lett. 2019 Apr 12;10(5):767-772. doi: 10.1021/acsmedchemlett.9b00025. PMID: 31097997; PMCID: PMC6512006.
In vivo protocol: TBD

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