JAN88576 | CAS#2306388-57-6 | (ERRα) inverse agonist

MedKoo Cat#: 555988 | Name: JAN88576

Description:

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

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

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: 445.32

Elemental Analysis: C, 53.94; H, 2.94; F, 25.60; N, 3.15; O, 14.37

Price and Availability

Size	Price	Availability
100mg	USD 950.00	2 Weeks
200mg	USD 1,650.00	2 Weeks
500mg	USD 2,650.00	2 Weeks
1g	USD 3,650.00	2 Weeks
2g	USD 5,950.00	2 Weeks

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Related CAS #

No Data

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

View handling instruction

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

	Solvent	mg/mL	mM
Solubility
	DMSO	62.5	140.35

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

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.

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:

In vivo protocol:

TBD

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.