Art. -Nr.: HY-183050

HEP-50768

HEP-50768 is an orally active and selective MRGPRX4 (hX4) antagonist. HEP-50768 suppresses basal and bile-acid-stimulated hX4 activity. HEP-50768 binds the receptor’s transmembrane pocket and induces extracellular loop rearrangements. HEP-50768 modulates GPCR microswitch motifs and reduces bile-acid-induced pruritic scratching behaviors. HEP-50768 can be used for the research of cholestatic pruritus.

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Reinheit: 99.17%
CAS. Nr.: 3036387-75-1
Formel: C₁₆H₁₀F₄N₄O
Molecular Weight:350.27

Speicherung:

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

HEP-50768 Chemical Structure

CAS. Nr.: 3036387-75-1

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Biologische Aktivität
- Beschreibung
- In Vitro
- In Vivo
Chemical Information
Lösungsmittel & Löslichkeit
- In Vitro
- In Vivo
Reinheit & Dokumentation
Verweise
Help & FAQs
Classifications
Bioz

Biologische Aktivität

Beschreibung

In Vitro

HEP-50768 (1 nM-1 μM; 30 min) potently inhibits DCA-induced calcium mobilization in HEK293T cells stably expressing hX4 with an IC₅₀ of 14 nM and achieves 100% inhibition at 2 μM^[1].
HEP-50768 (0.1 μM) acts as an inverse agonist, significantly reducing basal inositol monophosphate levels in HEK293T cells expressing hX4^[1].
HEP-50768 (2 μM; 1.5 h) modestly reduces GTPase activity of the purified hX4-Gq complex, consistent with its inverse agonist activity^[1].
HEP-50768 (0.02-50 nM) binds purified apo hX4 and hX4-miniGαq complex with high, comparable affinity, exhibiting K₀ values of 0.6 nM and 0.7 nM, respectively^[1].
HEP-50768 (0.1 nM-10 mM; 30 min) is highly selective for hX4, showing weak inhibition of hX1 (IC₅₀ = 16 μM) and hX2 (IC₅₀ = 1.5 μM) with no agonist activity against either receptor^[1].
HEP-50768 (~5 min) shows minimal hERG channel inhibition in HEK293 cells stably expressing hERG, with an IC₅₀ exceeding 30 μM^[1].

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

In Vivo

HEP-50768 (5-10 mg/kg; p.o.; single dose; 2.5 hours before pruritus induction) significantly reduces DCA-3S-induced scratching behavior in hX4-humanized rats, demonstrating potent antipruritic efficacy^[1].

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

Animal Model:

hX4-humanized rats (generated by crossing MRGA::hX4-Cre rats with Rosa26::lsl-hX4 rats)^[1]
Dosage:

5 mg/kg; 10 mg/kg
Administration:

p.o.; single dose; 2.5 hours before pruritus induction
Result:

Significantly reduced DCA-3S-induced scratching bouts compared to PBS vehicle control with a P-value of 0.0059 (5 mg/kg dose).
Significantly reduced DCA-3S-induced scratching bouts compared to PBS vehicle control with a P-value of 0.0049 (10 mg/kg dose).

Chemical Information

CAS. Nr. 3036387-75-1
Appearance Solid
Molecular Weight 350.27
Formel C₁₆H₁₀F₄N₄O
Color Light yellow to yellow
SMILES

FC1=C(C2=NN=NN2)C=CC=C1[C@@H]3CC4=CC(C(F)(F)F)=CC=C4O3
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 : 100 mg/mL (285.49 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

2.8549 mL

14.2747 mL

28.5494 mL

5 mM

0.5710 mL

2.8549 mL

5.7099 mL

10 mM

0.2855 mL

1.4275 mL

2.8549 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 (7.14 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% (20% SBE-β-CD in Saline)

Solubility: ≥ 2.5 mg/mL (7.14 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 900 μL 20% SBE-β-CD in Saline, and mix evenly.

Protocol 3

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

Solubility: ≥ 2.5 mg/mL (7.14 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 (274 KB)
SDS (252 KB)
- English - EN (252 KB)
- Français - FR (252 KB)
- Deutsch - DE (252 KB)
- Norwegian - NO (252 KB)
- Español - ES (252 KB)
- Swedish - SV (252 KB)
- Italian - IT (252 KB)
- Korean - KR (252 KB)
- Portuguese - PT (252 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]. Yang J, et al. Development of a clinically viable MRGPRX4 inverse agonist for cholestatic itch treatment. Nat Chem Biol. Published online April 9, 2026. [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	2.8549 mL	14.2747 mL	28.5494 mL	71.3735 mL
	5 mM	0.5710 mL	2.8549 mL	5.7099 mL	14.2747 mL
	10 mM	0.2855 mL	1.4275 mL	2.8549 mL	7.1374 mL
	15 mM	0.1903 mL	0.9516 mL	1.9033 mL	4.7582 mL
	20 mM	0.1427 mL	0.7137 mL	1.4275 mL	3.5687 mL
	25 mM	0.1142 mL	0.5710 mL	1.1420 mL	2.8549 mL
	30 mM	0.0952 mL	0.4758 mL	0.9516 mL	2.3791 mL
	40 mM	0.0714 mL	0.3569 mL	0.7137 mL	1.7843 mL
	50 mM	0.0571 mL	0.2855 mL	0.5710 mL	1.4275 mL
	60 mM	0.0476 mL	0.2379 mL	0.4758 mL	1.1896 mL
	80 mM	0.0357 mL	0.1784 mL	0.3569 mL	0.8922 mL
	100 mM	0.0285 mL	0.1427 mL	0.2855 mL	0.7137 mL

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HEP-50768

Biologische Aktivität

Chemical Information

Lösungsmittel & Löslichkeit

Reinheit & Dokumentation

Verweise

Help & FAQs

Complete Stock Solution Preparation Table

HEP-50768 Related Classifications

HY-183050 Related Classifications