Cat. No.: HY-19772

GSK3117391

(Synonyms: ESM-HDAC391; CHR-5154; HDAC-IN-3)

Customer Review

Based on 1 Customer Validation

GSK3117391 (ESM-HDAC391; CHR-5154; HDAC-IN-3) is an orally active HDAC inhibitor with a IC₅₀ of 55 nM. Using esterase-sensitive motif technology, GSK3117391 is selectively converted into its active acid metabolite HDAC189 in cells expressing carboxylesterase-1. GSK3117391 induces sustained global protein acetylation in monocytes, inhibits the production of proinflammatory cytokines, depletes circulating monocytes, downregulates the expression of CSF1R, and inhibits monocyte adhesion and differentiation. GSK3117391 can be used in the research of chronic inflammatory diseases.

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

Purity: 99.40%
CAS No.: 1018673-42-1
Formula: C₂₂H₃₃N₃O₄
Molecular Weight:403.52

Storage:

Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 2 years , -20°C, 1 year

GSK3117391 Chemical Structure

CAS No.: 1018673-42-1

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Fluorescent Dye

Strong Fluorescence Signal / Multi-Disciplinary Applications / High Fluorescence Specificity

Biological Activity
- Description
- IC₅₀ & Target
- In Vitro
- In Vivo
- Clinical Trial
Chemical Information
Solvent & Solubility
- In Vitro
- In Vivo
Purity & Documentation
References
Help & FAQs
Bioz

Biological Activity

Description

IC₅₀ & Target^[1]

HDAC

55 nM (IC₅₀)

All HDAC Isoforms :

In Vitro

GSK3117391 potently inhibits class I, class IIb, and class IV HDAC enzymes, and shows no activity against class IIa HDAC enzymes^[1].
GSK3117391 (1.5 nM-10 μM; 4 h) selectively increases global protein acetylation levels in human blood monocytes, with an EC₅₀ of 158 nM, while exerting minimal effects on lymphocytes and granulocytes^[1].
GSK3117391 (1.5 nM-10 μM; overnight) inhibits the production of TNF-α in human whole blood stimulated by LPS (HY-D1056), with an IC₅₀ of 174 nM^[1].
GSK3117391 (10 μM; 1-6 h) rapidly converts to its acidic metabolite HDAC189 in human CD14+ monocytes, and the concentration of HDAC189 increases continuously within 6 hours of incubation^[1].
GSK3117391 (0.01 nM-100 μM; 1-8 h) induces time- and concentration-dependent downregulation of CSF1R expression on human CD14+ monocytes without affecting CCR2 expression^[1].
GSK3117391 (0.51 nM-10 μM; 4-48 h) inhibits M-CSF-induced differentiation of human CD14+ monocytes, with an IC₅₀ value of 118 nM after 4 h of incubation and 19 nM after 20 h of incubation^[1].

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

In Vivo

ESM-HDAC391 (3-10 mg/kg; i.p.; single dose; two doses 24 hours apart) induces rapid, transient, dose-dependent monocytopaenia and CD115 downregulation in CES1/Es1^elo mice, with maximal 78% to 84% reductions in circulating monocytes observed with 10 mg/kg single or repeat dosing^[1].

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

Animal Model:

CES1/Es1elo (human CES1 expressed under CD68 promoter on low plasma esterase Es1elo background; male; age-matched)^[1]
Dosage:

3 mg/kg (single dose); 10 mg/kg (single dose; two doses 24 hours apart)
Administration:

i.p.; single dose; two doses 24 hours apart
Result:

Caused a 78% reduction in total circulating monocytes at 6 hours post-dose, with recovery by 24 hours (10 mg/kg single dose).
Caused an 84% reduction in circulating monocytes at 30 hours post-initial dose (10 mg/kg two doses 24 hours apart).
Reduced classical Ly6Chi monocytes by 72%, intermediate Ly6Cint monocytes by 81%, and non-classical Ly6Clo monocytes by 90% at 6 hours post-10 mg/kg dose.
Caused a 59% reduction in total circulating monocytes at 6 hours post-dose (3 mg/kg single dose).
Reduced CD115 expression on remaining circulating monocytes by 59% at 6 hours post-3 mg/kg dose.
Reduced CD115 expression on remaining circulating monocytes by 33% at 6 hours post-10 mg/kg dose.

Clinical Trial

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

Chemical Information

CAS No. 1018673-42-1
Appearance Solid
Molecular Weight 403.52
Formula C₂₂H₃₃N₃O₄
Color Light yellow to khaki
SMILES

O=C([C@@H](NCC1=CN=C(CCC(NO)=O)C=C1)C2CCCCC2)OC3CCCC3
Synonyms

ESM-HDAC391; CHR-5154; HDAC-IN-3
Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Powder	-20°C	3 years
	4°C	2 years
In solvent	-80°C	2 years
	-20°C	1 year

Solvent & Solubility

In Vitro:

DMSO : 50 mg/mL (123.91 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

2.4782 mL

12.3910 mL

24.7819 mL

5 mM

0.4956 mL

2.4782 mL

4.9564 mL

10 mM

0.2478 mL

1.2391 mL

2.4782 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, 2 years; -20°C, 1 year. When stored at -80°C, please use it within 2 years. When stored at -20°C, please use it within 1 year.

Molarity Calculator

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

Mass Mass

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Volume Volume

Molecular Weight Molecular Weight

Dilution Calculator

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

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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 (6.20 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 (6.20 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 (6.20 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

Purity & Documentation

Select Batch:

Purity: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (273 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)
- 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]. Furze RC, et al. Phase 1 and preclinical profiling of ESM-HDAC391, a myeloid-targeted histone deacetylase inhibitor, shows enhanced pharmacology and monocytopaenia. Br J Clin Pharmacol. 2022;88(12):5238-5256. [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, 2 years; -20°C, 1 year. When stored at -80°C, please use it within 2 years. When stored at -20°C, please use it within 1 year.

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg
DMSO	1 mM	2.4782 mL	12.3910 mL	24.7819 mL	61.9548 mL
	5 mM	0.4956 mL	2.4782 mL	4.9564 mL	12.3910 mL
	10 mM	0.2478 mL	1.2391 mL	2.4782 mL	6.1955 mL
	15 mM	0.1652 mL	0.8261 mL	1.6521 mL	4.1303 mL
	20 mM	0.1239 mL	0.6195 mL	1.2391 mL	3.0977 mL
	25 mM	0.0991 mL	0.4956 mL	0.9913 mL	2.4782 mL
	30 mM	0.0826 mL	0.4130 mL	0.8261 mL	2.0652 mL
	40 mM	0.0620 mL	0.3098 mL	0.6195 mL	1.5489 mL
	50 mM	0.0496 mL	0.2478 mL	0.4956 mL	1.2391 mL
	60 mM	0.0413 mL	0.2065 mL	0.4130 mL	1.0326 mL
	80 mM	0.0310 mL	0.1549 mL	0.3098 mL	0.7744 mL
	100 mM	0.0248 mL	0.1239 mL	0.2478 mL	0.6195 mL

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GSK3117391

Cell Cycle/DNA Damage Compound Library

Epigenetics Compound Library

Immunology/Inflammation Compound Library

Kinase Inhibitor Library

Protein Tyrosine Kinase Compound Library

Histone Modification Research Compound Library

Clinical Compound Library

Peptidomimetic Library

Anti-Aging Compound Library

Drug Repurposing Compound Library

Reprogramming Compound Library

Oxygen Sensing Compound Library

Orally Active Compound Library

Anti-Breast Cancer Compound Library

Anti-Pancreatic Cancer Compound Library

Anti-Blood Cancer Compound Library

Anti-Liver Cancer Compound Library

Osteogenesis Compound Library

Membrane Protein-targeted Compound Library

Highly Selective Inhibitors Library

Cytokine Inhibitors Library

Anti-Hematopathy Compound Library

Macrophage Related Compound Library

Multi-Target Compound Library

Bioactive Compound Library Max

MCE Bioactive Compound Library

Drug Repurposing Compound Library Plus

Clinical Compound Library Plus

Bioactive Compound Library

Anti-Brain Cancer Compound Library

Protein Kinase Compound Library

Cell Proliferation Compound Library

High-Throughput Bioactive Compound Library

High-Efficiency Gene Editing Compound Library

Lactylation Compound Library

All HDAC Isoforms

Biological Activity

Chemical Information

Solvent & Solubility

Purity & Documentation

References

Help & FAQs

Complete Stock Solution Preparation Table

GSK3117391 Related Classifications

Cat. No.: HY-19772