Cat. No.: HY-U00425

PROTAC ERRα ligand 1

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PROTAC ERRα ligand 1 is a PROTAC target protein ligand. PROTAC ERRα ligand 1 is an orally active ERRα inverse agonist with IC₅₀ values of 0.6 μM for ERRα. PROTAC ERRα ligand 1 shows no significant activity against a panel of other nuclear receptors, including ERα^c, ERRγ, ERβ, PPARα, PPARγ, PPARδ, and RXRα. PROTAC ERRα ligand 1 can provide enhanced insulin sensitivity in vivo. PROTAC ERRα ligand 1 can be used for metabolic diseases research, such as type 2 diabetes and obesity.

For research use only. We do not sell to patients.

Purity: 98.61%
CAS No.: 1264754-13-3
Formula: C₁₉H₁₁F₃N₂O₄S
Molecular Weight:420.36

Storage:

Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 6 months , -20°C, 1 month

PROTAC ERRα ligand 1 Chemical Structure

CAS No.: 1264754-13-3

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Biological Activity
- Description
- IC₅₀ & Target
- Cellular Effect
- In Vitro
- Parmacokinetics
- In Vivo
Chemical Information
Solvent & Solubility
- In Vitro
- In Vivo
Purity & Documentation
References
Help & FAQs
Classifications
Bioz

Biological Activity

Description

IC₅₀ & Target^[1]

ERRα

0.04 μM (IC₅₀)

All Estrogen Receptor/ERR Isoforms :

Cellular Effect

Cell Line	Type	Value	Description	References
HEK293	EC₅₀	1.6 μM Compound: 29	Agonist activity at ZFP-fused ERRbeta LBD expressed in HEK293 cells by TR-FRET assay Agonist activity at ZFP-fused ERRbeta LBD expressed in HEK293 cells by TR-FRET assay	[PMID: 21218783]
HEK293	IC₅₀	0.6 μM Compound: 29	Antagonist activity at ERRalpha LBD expressed in HEK293 cells assessed as Gal4-SRC2 interaction by two hybrid luciferase reporter gene assay Antagonist activity at ERRalpha LBD expressed in HEK293 cells assessed as Gal4-SRC2 interaction by two hybrid luciferase reporter gene assay	[PMID: 21218783]
MCF7	EC₅₀	>15 μM Compound: 29	Agonist activity at human ERalpha LBD in human MCF7 cells assessed as induction of cell proliferation after up to 6 days by celltiter-glo assay Agonist activity at human ERalpha LBD in human MCF7 cells assessed as induction of cell proliferation after up to 6 days by celltiter-glo assay	[PMID: 21218783]
MCF7	IC₅₀	>15 μM Compound: 29	Antagonist activity at human ERalpha LBD in human MCF7 cells assessed as inhibition of estradiol-induced cell proliferation after up to 6 days by celltiter-glo assay Antagonist activity at human ERalpha LBD in human MCF7 cells assessed as inhibition of estradiol-induced cell proliferation after up to 6 days by celltiter-glo assay	[PMID: 21218783]

In Vitro

PROTAC ERRα ligand 1 (compound 29) (24 h) inhibits ERRα with an IC₅₀ of 0.6 μM in a two-hybrid reporter assay in HEK293 cells^[1].
PROTAC ERRα ligand 1 (10 μM) exhibits a clean off-target profile, showing no significant inhibition of CYP3A4, CYP2D6, or a broad panel of 51 receptors and ion channels^[1].
PROTAC ERRα ligand 1 (15 μM, 24 h) shows no functional activity against PPARα, PPARγ, PPARδ and RXRα in HEK293 cells^[1].
PROTAC ERRα ligand 1 (4-18 h) proves much less potent (>50-fold selectivity) at inhibiting coactivator peptide binding with ERRγ and does not compete with PPARγ ligand binding at test concentrations up to 10 μM^[1].
PROTAC ERRα ligand 1 (15 μM, 0-6 days) shows no functional estrogenic or anti-estrogenic activity in reporter gene and MCF-7 cell proliferation assays^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Parmacokinetics

Species	Dose	Route	Note	C_max	T_max	AUC	T_1/2	F	CL	V_ss	AUC_0-24
Cynomolgus Monkey^[1]	10 mg/kg	p.o.	Female;AUC0-72	4.2 μg/mL	7 h	71.8 μg/mL·h	13.9 h	118 %	/	/	/
Cynomolgus Monkey^[1]	2 mg/kg	i.v.	Female	/	/	/	12.8 h	/	0.72 mL/min/kg	0.78 L/kg	/
Dog^[1]	10 mg/kg	p.o.	Beagle Dogs;AUC0-48	14.3 μg/mL	4.5 h	228.2 μg/mL·h	5.5 h	91 %	/	/	/
Dog^[1]	2 mg/kg	i.v.	Beagle Dogs	/	/	/	5.0 h	/	0.87 mL/min/kg	0.32 L/kg	/
Mice^[1]	10 mg/kg	p.o.	Male CD-1 Mice;AUC0-7	6.8 μg/mL	0.5 h	30.3 μg·h/mL	2.5 h	147 %	/	/	/
Mice^[1]	2 mg/kg	i.v.	Male CD-1 Mice	/	/	/	2.7 h	/	5.01 mL/min/kg	1.16 L/kg	/
Rat^[1]	0.08 mg/kg	p.o.	Male ZDF Rats;AUC0-48	0.08 μg/mL	4 h	1.4 μg·h/mL	9.8 h	/	/	/	/
Rat^[1]	0.4 mg/kg	p.o.	Male ZDF Rats;AUC0-48	0.33 μg/mL	4 h	6.8 μg·h/mL	11.3 h	/	/	/	/
Rat^[1]	10 mg/kg	p.o.	Male SD Rats	6.3 μg/mL	3 h	/	7.8 h	77 %	/	/	84.4 μg·h/mL
Rat^[1]	10 mg/kg	p.o.	Male ZDF Rats;AUC0-48	9.3 μg/mL	4 h	168.3 μg·h/mL	7.9 h	/	/	/	/
Rat^[1]	2 mg/kg	i.v.	Male SD Rats	/	/	/	6.9 h	/	1 mL/min/kg	0.80 L/kg	/
Rat^[1]	2 mg/kg	p.o.	Male ZDF Rats;AUC0-48	2.76 μg/mL	2.7 h	58.9 μg·h/mL	10.1 h	/	/	/	/

In Vivo

PROTAC ERRα ligand 1 (3, 10 and 30 mg/kg, p.o., b.i.d. for 5 days or q.d. for 15 days) leads to the normalization of serum triglyceride and insulin levels as well as an improvement in glucose tolerance in diet-induced obesity (DIO) mouse models^[1].
PROTAC ERRα ligand 1 (0.08-10 mg/kg, p.o., q.d. for 12 or 25 days) markedly enhances insulin sensitivity, normalizing glucose levels in Zucker diabetic fatty (ZDF) rat models^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Animal Model:

Male AKR/J mice (8 weeks old) maintained on a high-fat diet for 5 weeks^[1]
Dosage:

3 and 30 mg/kg
Administration:

p.o., b.i.d. for 5 days
Result:

Exhibited significant weight loss (5%) and reductions in food intake (23%) at the higher dose compared with vehicle-treated controls.
Reduced body weight with a selective decrease in body fat without a change in lean mass.
Reduced circulating insulin levels by 67% without concomitant changes in fed glucose levels at 30 mg/kg, indicating an improvement of peripheral insulin sensitivity.
Reduced triglyceride levels by ∼50%.
Exhibited trends toward lower FFA and higher ketone (3-hydroxybutyrate) levels at the higher dose.
Showed no apparent toxicities or adverse effects at either dose.

Animal Model:

Male C57BL/6 mice (8 weeks old) maintained on a high-fat diet for 11 weeks^[1]
Dosage:

10 and 30 mg/kg
Administration:

p.o., q.d. for 15 days
Result:

Equally effective reducing circulating insulin (~46%), free fatty acid (~40%), and triglyceride (~19%) levels at both doses, compared to vehicle-treated animals on day 10.
Showed no changes in food intake, body weight, body composition.
Showed no apparent toxicities.
Revealed improved glucose handling in an OGTT test performed on day 14.
Increased liver weight (26% at 30 mg/kg) and elevated liver triglyceride levels (2-fold and 3-fold at 10 and 30 mg/kg, respectively) in a dose-dependent manner, but without changes in AST/ALT levels or other clinical chemistries.

Animal Model:

Male ZDF fa/fa rat (7 weeks old) maintained on a Purina 5008 diet^[1]
Dosage:

10 mg/kg
Administration:

p.o., q.d. for 12 days
Result:

Showed a marked decrease of plasma glucose levels in the insulin tolerance test (ITT) test, resulting in near normalization, indicating enhanced insulin sensitivity, with an effect comparable to Rosiglitazone (HY-17386).

Animal Model:

Male ZDF fa/fa rat (7 weeks old) maintained on a Purina 5008 diet^[1]
Dosage:

0.08, 0.4, 2, and 10 mg/kg
Administration:

p.o., q.d. for 25 days
Result:

Showed a dose-dependent reduction of fed glucose, triglycerides, and FFAs on day 14, reaching significance at 10 mg/kg.
Revealed a dose-dependent reduction in glucose excursion and significant reductions in glucose AUC values (-29% at 0.4 mg/kg, -48% at 2 mg/kg, and -52% at 10 mg/kg) in an OGTT on day 22, indicating improved glucose tolerance at all test doses.
Exhibited no changes in weight or epididymal fat pad.
Exhibited no apparent toxicities or adverse effects.
Showed dose-linear exposures on day 22, with maximal efficacy in the OGTT achieved at a dose level of 2.0 mg/kg.

Chemical Information

CAS No. 1264754-13-3
Appearance Solid
Molecular Weight 420.36
Formula C₁₉H₁₁F₃N₂O₄S
Color Light yellow to green yellow
SMILES

N#CC1=CC=C(OC2=CC=C(/C=C(SC(N3)=O)/C3=O)C=C2OC)C(C(F)(F)F)=C1
Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Powder	-20°C	3 years
	4°C	2 years
In solvent	-80°C	6 months
	-20°C	1 month

Solvent & Solubility

In Vitro:

DMSO : 100 mg/mL (237.89 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

View the Complete Stock Solution Preparation Table

Preparing Stock Solutions

View the Complete Stock Solution Preparation Table

Concentration Solvent Mass

1 mg

5 mg

10 mg

Concentration

Solvent

Mass

1 mM

2.3789 mL

11.8946 mL

23.7891 mL

5 mM

0.4758 mL

2.3789 mL

4.7578 mL

10 mM

0.2379 mL

1.1895 mL

2.3789 mL

Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.

Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

Molarity Calculator

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Mass Mass

Concentration Concentration

Volume Volume

Molecular Weight Molecular Weight

Dilution Calculator

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

Concentration _(start) Concentration _(start)

Volume _(start) Volume _(start)

Concentration _(final) Concentration _(final)

Volume _(final) Volume _(final)

In Vivo:

Select the appropriate dissolution method based on your experimental animal and administration route.

Stock Solution Working Solution

For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for In Vivo experiments, it is recommended to prepare freshly and use it on the same day.
The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.

Protocol 1

Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline

Solubility: ≥ 2.5 mg/mL (5.95 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage Dosage
mg/kg
Animal Weight (Per Animal) Animal Weight (Per Animal)
g
Dosing Volume (Per Animal) Dosing Volume (Per Animal)
μL
Number of Animals Number of Animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Please enter your animal formula composition:

%
DMSO +

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
%
+
+
%
Tween-80 + +
%
Saline +

The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).

Working solution concentration: 0.22 mg/mL

Purity & Documentation

Select Batch:

Purity: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (283 KB)
SDS (393 KB)
- English - EN (393 KB)
- Français - FR (393 KB)
- Deutsch - DE (393 KB)
- Norwegian - NO (393 KB)
- Español - ES (393 KB)
- Swedish - SV (393 KB)
- Italian - IT (393 KB)
- Korean - KR (393 KB)
- Portuguese - PT (393 KB)
COA (2659 KB)
Elemental Analysis Report (2659 KB)
HNMR (2659 KB)
CNMR (2659 KB)
RP-HPLC (2659 KB)
NP-HPLC (2659 KB)
MS (2659 KB)
LCMS (2659 KB)
IR (2659 KB)
GC (2659 KB)
OR (2659 KB)
SDS-PAGE (2659 KB)
SEC-HPLC (2659 KB)
Other Report (2659 KB)
Handling Instructions (2659 KB)

References

[1]. Patch RJ, et al. Identification of diaryl ether-based ligands for estrogen-related receptor α as potential antidiabetic agents. J Med Chem. 2011 Feb 10;54(3):788-808. [Content Brief]

Help & FAQs

How should lyophilized recombinant proteins be reconstituted and stored?

1. Before opening the cap, centrifuge the vial at 13000 rpm for 20-30 seconds. This step will ensure that any lyophilized powder that may have adhered to the cap or walls is collected at the bottom of the vial, minimizing the risk of product loss.

Complete Stock Solution Preparation Table

Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg
DMSO	1 mM	2.3789 mL	11.8946 mL	23.7891 mL	59.4728 mL
	5 mM	0.4758 mL	2.3789 mL	4.7578 mL	11.8946 mL
	10 mM	0.2379 mL	1.1895 mL	2.3789 mL	5.9473 mL
	15 mM	0.1586 mL	0.7930 mL	1.5859 mL	3.9649 mL
	20 mM	0.1189 mL	0.5947 mL	1.1895 mL	2.9736 mL
	25 mM	0.0952 mL	0.4758 mL	0.9516 mL	2.3789 mL
	30 mM	0.0793 mL	0.3965 mL	0.7930 mL	1.9824 mL
	40 mM	0.0595 mL	0.2974 mL	0.5947 mL	1.4868 mL
	50 mM	0.0476 mL	0.2379 mL	0.4758 mL	1.1895 mL
	60 mM	0.0396 mL	0.1982 mL	0.3965 mL	0.9912 mL
	80 mM	0.0297 mL	0.1487 mL	0.2974 mL	0.7434 mL
	100 mM	0.0238 mL	0.1189 mL	0.2379 mL	0.5947 mL

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PROTAC ERRα ligand 1

MCE Bioactive Compound Library

All Estrogen Receptor/ERR Isoforms

Biological Activity

Chemical Information

Solvent & Solubility

Purity & Documentation

References

Help & FAQs

Complete Stock Solution Preparation Table

PROTAC ERRα ligand 1 Related Classifications

HY-U00425 Related Classifications