Art. -Nr.: HY-168046

ALG-055009

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ALG-055009 is a selective and orally active Thyroid Hormone Receptor Beta (THR-β) agonist with an EC₅₀ of 0.063 μM. ALG-055009 binds to the T3 hormone pocket of human THR-β, forming polar interactions with protein residues. ALG-055009 can lower total cholesterol levels in rats on a high-fat diet. ALG-055009 exhibits high metabolic stability, good permeability, a long in vivo half-life, and limited drug-drug interaction liability. ALG-055009 can be used in studies related to metabolic dysfunction-associated fatty liver disease.

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Reinheit: 95.32%
CAS. Nr.: 2542029-03-6
Formel: C₁₆H₁₄Cl₂N₆O₄
Molecular Weight:425.23

Speicherung:

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

ALG-055009 Chemical Structure

CAS. Nr.: 2542029-03-6

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Biologische Aktivität
- Beschreibung
- IC₅₀ & Target
- Cellular Effect
- In Vitro
- Parmacokinetics
- In Vivo
- Clinical Trial
Chemical Information
Lösungsmittel & Löslichkeit
- In Vitro
- In Vivo
Reinheit & Dokumentation
Verweise
Help & FAQs
Classifications
Bioz

Biologische Aktivität

Beschreibung

IC₅₀ & Target^[1]

THR-β

0.063 μM (EC₅₀)

Cellular Effect

Cell Line	Type	Value	Description	References
Huh-7	EC₅₀	9 nM Compound: 14	Effect on CPT1A gene expression in human Huh-7 cells measured for 24 hrs Effect on CPT1A gene expression in human Huh-7 cells measured for 24 hrs	[PMID: 39221768]

In Vitro

ALG-055009 (Compound 14) (1 h) potently activates recombinant human THR-β with an EC₅₀ of 0.063 μM and shows 5.7-fold selectivity for THR-β over recombinant human THR-α in a TR-FRET coactivator biochemical assay^[1].
ALG-055009 (18-24 h) activates THR-β in transfected HEK293T cells with an EC₅₀ of 0.050 μM and shows 3.8-fold selectivity for THR-β over THR-α in a luciferase reporter gene assay^[1].
ALG-055009 (24 h) induces CPT1A gene expression in Huh-7 liver-derived cells with an EC₅₀ of 9 nM, demonstrating potent on-target activity related to mitochondrial fatty acid β-oxidation^[1].
ALG-055009 (1 μM; 0-180 min) shows high metabolic stability in cryopreserved mouse, rat, dog, cynomolgus monkey, and human hepatocytes^[1].
ALG-055009 has low CYP450 inhibition potential in human liver microsomes, with an IC₅₀ of 112 μM for CYP2C8, 37 μM for CYP2C9, and IC₅₀ values >50 μM for CYP1A2, CYP2B6, CYP2C19, CYP2D6, and CYP3A4^[1].
ALG-055009 (0.07-50 μM; 10 min) weakly inhibits recombinant human UGT1A1 with an IC₅₀ of 37.5 μM, indicating low risk of glucuronidation-related drug-drug interactions^[1].
ALG-055009 (5 μM; 1 h) shows good permeability across Caco-2 cell monolayers with an A to B P_app of 2.2 × 10^-6 cm/s and a low efflux ratio of 6^[1].
ALG-055009 (2 μM; 4 h) shows high plasma protein binding (>96%) in mouse, rat, dog, cynomolgus monkey, and human plasma^[1].
ALG-055009 (5 μM; 60 min) has blood-to-plasma ratios of 0.49 to 0.64 in mouse, rat, dog, cynomolgus monkey, and human whole blood, showing no preferential red blood cell partitioning^[1].
ALG-055009 is neither a substrate nor an
inhibitor (IC₅₀ = 34.4 and 23.8 μM, respectively) of BCRP or
OATP1B1^[1].
ALG-055009 (up to 10 μM) shows no inhibition of human Nav1.5, Cav1.2, or hERG potassium channels at concentrations up to 10 μM, indicating low cardiovascular safety risk^[1].

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

Parmacokinetics

Species	Dose	Route	CL	V_ss	T_1/2	C_max	AUC_0-inf	F
Mice^[1]	5 mg/kg	i.v.	3.52 mL/min/kg	0.694 L/kg	2.27 h	/	23704 ng·h/mL	/
Mice^[1]	5 mg/kg	p.o.	/	/	2.97 h	3547 ng/mL	17977 ng·h/mL	75.8 %
Rat^[1]	1 mg/kg	i.v.	1.40 mL/min/kg	0.627 L/kg	7.22 h	/	11957 ng·h/mL	/
Rat^[1]	5 mg/kg	p.o.	/	/	7.59 h	7560 ng/mL	60124 ng·h/mL	101 %
Rat^[1]	0.03 mg/kg	p.o.	/	/	/	12.9 ng/mL	117 ng·h/mL	35.1 %
Rat^[1]	0.1 mg/kg	p.o.	/	/	/	52.7 ng/mL	698 ng·h/mL	62.7 %
Rat^[1]	0.3 mg/kg	p.o.	/	/	/	249 ng/mL	3651 ng·h/mL	109 %
Dog^[1]	1 mg/kg	i.v.	0.895 mL/min/kg	0.687 L/kg	10.6 h	/	18624 ng·h/mL	/
Dog^[1]	5 mg/kg	p.o.	/	/	9.26 h	4673 ng/mL	51873 ng·h/mL	55.7 %
Dog^[1]	0.03 mg/kg	p.o.	/	/	/	4.47 ng/mL	158 ng·h/mL	29.3 %
Dog^[1]	0.3 mg/kg	p.o.	/	/	12.9 h	206 ng/mL	4160 ng·h/mL	74.5 %
Cynomolgus Monkey^[1]	1 mg/kg	i.v.	1.59 mL/min/kg	0.597 L/kg	7.72 h	8107 ng/mL	10987 ng·h/mL	/
Cynomolgus Monkey^[1]	5 mg/kg	p.o.	/	/	8.03 h	/	45735 ng·h/mL	83.3 %

In Vivo

ALG-055009 (Compound 14) (0.015-1.5 mg/kg; p.o.; single dose) produces dose-dependent reductions in serum total cholesterol and LDL-C in high fat diet-fed hypercholesterolemic rats, with a minimum effective dose of 0.075 mg/kg, and induces significant increases in hepatic THR-β target gene expression at doses ≥0.15 mg/kg^[1].

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

Animal Model:

Sprague-Dawley (male, high fat diet-induced hypercholesterolemia)^[1]
Dosage:

0.015 mg/kg; 0.05 mg/kg; 0.075 mg/kg; 0.15 mg/kg; 0.5 mg/kg; 1.5 mg/kg
Administration:

p.o.; single dose
Result:

Reduced serum total cholesterol by 66.9% at 1.5 mg/kg.
Reduced serum low-density lipoprotein cholesterol by 72.3% at 1.5 mg/kg.
Reduced serum total T3 by 64.7% at 1.5 mg/kg.
Reduced serum total T4 by 63.8% at 1.5 mg/kg.
Increased liver Dio1 gene and Me1 gene expression at 0.075-0.5 mg/kg.

Clinical Trial

NCT Number	Sponsor	Condition	Start Date	Phase A549
NCT01329991	Plexxikon\|		2011-05	PHASE1

Chemical Information

CAS. Nr. 2542029-03-6
Appearance Solid
Molecular Weight 425.23
Formel C₁₆H₁₄Cl₂N₆O₄
Color Off-white to light yellow
SMILES

CC(C1=CC(OC2=C(Cl)C=C(N3N=C(C(NC3=O)=O)N)C=C2Cl)=NNC1=O)C
Versand

Room temperature in continental US; may vary elsewhere.

Speicherung

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

Lösungsmittel & Löslichkeit

In Vitro:

DMSO : 50 mg/mL (117.58 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

2.3517 mL

11.7583 mL

23.5167 mL

5 mM

0.4703 mL

2.3517 mL

4.7033 mL

10 mM

0.2352 mL

1.1758 mL

2.3517 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.

Molaritätsrechner

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

Mass Mass

Konzentration Konzentration

Volumen Volumen

Molecular Weight Molecular Weight

Verdünnungsrechner

Konzentration _{(Stammlösung)} × Volumen _{(Stammlösung)} = Konzentration _{(Ziellösung)} × Volumen _{(Ziellösung)}

Konzentration _{(Stammlösung)} Konzentration _{(Stammlösung)}

Volumen _{(Stammlösung)} Volumen _{(Stammlösung)}

Konzentration _{(Ziellösung)} Konzentration _{(Ziellösung)}

Volumen _{(Ziellösung)} Volumen _{(Ziellösung)}

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 (5.88 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.

Protocol 2

Add each solvent one by one: 10% DMSO 90% Corn Oil

Solubility: ≥ 2.5 mg/mL (5.88 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown). If the continuous dosing period exceeds half a month, please choose this protocol carefully.

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL Corn oil, and mix evenly.

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

Reinheit & Dokumentation

Select Batch:

Reinheit: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (277 KB)
SDS (251 KB)
- English - EN (251 KB)
- Français - FR (251 KB)
- Deutsch - DE (251 KB)
- Norwegian - NO (251 KB)
- Español - ES (251 KB)
- Swedish - SV (251 KB)
- Italian - IT (251 KB)
- Korean - KR (251 KB)
- Portuguese - PT (251 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)

Verweise

[1]. Vandyck K, et al. Discovery and Preclinical Profile of ALG-055009, a Potent and Selective Thyroid Hormone Receptor Beta (THR-β) Agonist for the Treatment of MASH. J Med Chem. 2024;67(17):14840-14851. [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	2.3517 mL	11.7583 mL	23.5167 mL	58.7917 mL
	5 mM	0.4703 mL	2.3517 mL	4.7033 mL	11.7583 mL
	10 mM	0.2352 mL	1.1758 mL	2.3517 mL	5.8792 mL
	15 mM	0.1568 mL	0.7839 mL	1.5678 mL	3.9194 mL
	20 mM	0.1176 mL	0.5879 mL	1.1758 mL	2.9396 mL
	25 mM	0.0941 mL	0.4703 mL	0.9407 mL	2.3517 mL
	30 mM	0.0784 mL	0.3919 mL	0.7839 mL	1.9597 mL
	40 mM	0.0588 mL	0.2940 mL	0.5879 mL	1.4698 mL
	50 mM	0.0470 mL	0.2352 mL	0.4703 mL	1.1758 mL
	60 mM	0.0392 mL	0.1960 mL	0.3919 mL	0.9799 mL
	80 mM	0.0294 mL	0.1470 mL	0.2940 mL	0.7349 mL
	100 mM	0.0235 mL	0.1176 mL	0.2352 mL	0.5879 mL

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ALG-055009

Clinical Compound Library

Drug Repurposing Compound Library

Orally Active Compound Library

Nuclear Receptor Compound Library

Osteogenesis Compound Library

Membrane Receptor-targeted Compound Library

Highly Selective Activators Library

Bioactive Compound Library Max

MCE Bioactive Compound Library

Drug Repurposing Compound Library Plus

Clinical Compound Library Plus

Bioactive Compound Library

Non-Alcoholic Fatty Liver Disease (NAFLD) Compound Library

High-Throughput Bioactive Compound Library

Biologische Aktivität

Chemical Information

Lösungsmittel & Löslichkeit

Reinheit & Dokumentation

Verweise

Help & FAQs

Complete Stock Solution Preparation Table

ALG-055009

Clinical Compound Library

Drug Repurposing Compound Library

Orally Active Compound Library

Nuclear Receptor Compound Library

Osteogenesis Compound Library

Membrane Receptor-targeted Compound Library

Highly Selective Activators Library

Bioactive Compound Library Max

MCE Bioactive Compound Library

Drug Repurposing Compound Library Plus

Clinical Compound Library Plus

Bioactive Compound Library

Non-Alcoholic Fatty Liver Disease (NAFLD) Compound Library

High-Throughput Bioactive Compound Library

Biologische Aktivität

Chemical Information

Lösungsmittel & Löslichkeit

Reinheit & Dokumentation

Verweise

Help & FAQs

Complete Stock Solution Preparation Table

ALG-055009 Related Classifications

HY-168046 Related Classifications