Art. -Nr.: HY-149946

HDAC-IN-57

Name: HDAC-IN-57
Brand: MedChemExpress
SKU: HY-149946
Price: 358.00 USD
Availability: InStock
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1 Cited Publications

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Based on 1 publication(s) in Google Scholar

HDAC-IN-57 is an orally active inhibitor of histone deacetylases (HDAC), with IC₅₀s of 2.07 nM, 4.71 nM, 2.4 nM and 107 nM for HDAC1, HDAC2, HDAC6, HDAC8, respectively. HDAC-IN-57 can inhibits LSD1, with IC₅₀ of 1.34 μΜ. HDAC-IN-57 induces apoptosis, and has anti-tumor activity.

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Reinheit : 99.61%
CAS. Nr.: 2716217-79-5
Formel: C₂₁H₁₉N₃O₄
Molecular Weight:377.39

Speicherung:

4°C, sealed storage, away from moisture

* In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture)

HDAC-IN-57 Chemical Structure

CAS. Nr.: 2716217-79-5

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Top Publications Citing

Use of MCE Products

Fluorescent Dye

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

Biologische Aktivität
- Beschreibung
- IC₅₀ & Target
- Cellular Effect
- In Vitro
- Parmacokinetics
- In Vivo
Chemical Information
Publications (1)
Lösungsmittel & Löslichkeit
- In Vitro
- In Vivo
Reinheit & Dokumentation
Verweise
Help & FAQs
Classifications
Bioz

Biologische Aktivität

Beschreibung

IC₅₀ & Target

^[1]

HDAC1

2.07 nM (IC₅₀)

HDAC2

4.71 nM (IC₅₀)

HDAC6

2.4 nM (IC₅₀)

HDAC8

107 nM (IC₅₀)

Alle HDAC Isoform-spezifische Produkte anzeigen :

Alle Histone Demethylase Isoform-spezifische Produkte anzeigen :

Cellular Effect

Cell Line	Type	Value	Description	References
A549	IC₅₀	1.48 μM Compound: 5e	Antiproliferative activity against human A549 cells assessed as inhibition of cell growth incubated for 72 hrs by celltiter glo assay Antiproliferative activity against human A549 cells assessed as inhibition of cell growth incubated for 72 hrs by celltiter glo assay	[PMID: 37086699]
GES1	IC₅₀	8.66 μM Compound: 5e	Cytotoxicity against human GES1 cells harboring low LSD1 expression assessed as inhibition of cell growth incubated for 72 hrs by celltiter glo assay Cytotoxicity against human GES1 cells harboring low LSD1 expression assessed as inhibition of cell growth incubated for 72 hrs by celltiter glo assay	[PMID: 37086699]
HCT-116	IC₅₀	0.57 μM Compound: 5e	Antiproliferative activity against human HCT-116 cells assessed as inhibition of cell growth incubated for 72 hrs by celltiter glo assay Antiproliferative activity against human HCT-116 cells assessed as inhibition of cell growth incubated for 72 hrs by celltiter glo assay	[PMID: 37086699]
MGC-803	IC₅₀	0.45 μM Compound: 5e	Antiproliferative activity against human MGC-803 cells assessed as inhibition of cell growth incubated for 72 hrs by celltiter glo assay Antiproliferative activity against human MGC-803 cells assessed as inhibition of cell growth incubated for 72 hrs by celltiter glo assay	[PMID: 37086699]
MOLT-4	IC₅₀	0.25 μM Compound: 5e	Antiproliferative activity against human MOLT-4 cells assessed as inhibition of cell growth incubated for 72 hrs by celltiter glo assay Antiproliferative activity against human MOLT-4 cells assessed as inhibition of cell growth incubated for 72 hrs by celltiter glo assay	[PMID: 37086699]
MV4-11	IC₅₀	0.14 μM Compound: 5e	Antiproliferative activity against human MV4-11 cells assessed as inhibition of cell growth incubated for 72 hrs by celltiter glo assay Antiproliferative activity against human MV4-11 cells assessed as inhibition of cell growth incubated for 72 hrs by celltiter glo assay	[PMID: 37086699]
THP-1	IC₅₀	0.47 μM Compound: 5e	Antiproliferative activity against human THP-1 cells assessed as inhibition of cell growth incubated for 72 hrs by celltiter glo assay Antiproliferative activity against human THP-1 cells assessed as inhibition of cell growth incubated for 72 hrs by celltiter glo assay	[PMID: 37086699]

In Vitro

HDAC-IN-57 (Compound 5e) (1.0 μM, 2.5 μM, 5.0 μΜ；48 hour) inhibits migration and invasion activity of MGC-803 and HCT-116 cells^[1].
HDAC-IN-57 (1.0 μM, 2.5 μM, 5.0 μΜ；48 hour) significantly inhibits the growth of solid tumor cell lines MGC-803, A549, and HCT-116, with IC₅₀s of 0.45 μM. 1.48 μM and 0.57 μM, respectively^[1].
HDAC-IN-57 (1.0 μM. 2.5 μM, 5.0 μΜ; 48 hours) triggers apoptosis of MGC-803 and HCT -116 cells in a dose-dependent manner^[1].
HDAC-IN-57 (1.0 μM. 2.5 μM, 5.0 μΜ; 48 hours) inhibits LSD1 and HDACs of MGC-803 and HCT -116 cells^[1].
HDAC-IN-57 (1.0 μM. 2.5 μM, 5.0 μΜ; 48 hours) induces G2/M cycle arrest in MGC-803 and HCT-116 cells^[1].
HDAC-IN-57 (Compound 5e) showes excellent metabolic stability in human liver (HLM) and rat liver microsomes (RLM), maintaining 86.1% and 87.4%, respectively, of the parent compound after incubation for 1 h, with T_1/2 values over 120 min^[1].

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

Western Blot Analysis^[1]

Cell Line:

MGC-803 cells, HCT-116 cells
Concentration:

1.5 μM
Incubation Time:

48 hours
Result:

Inhibited cellular LSD1 and HDACs.
Upregulated the expression of apoptotic markers, including cytochrome C, Bax, cleaved caspase-3/7/9, and cleaved PARP, while downregulating the expression of anti-apoptotic protein Bcl-2.

Apoptosis Analysis^[1]

Cell Line:

MGC-803 cells, HCT-116 cells
Concentration:

1.0 μM, 2.5 μM, 5.0 μM
Incubation Time:

48 hours
Result:

Triggered MGC-803 and HCT116 cells apoptosis in a dose-dependent manner.
Induced about 55.4% and 51.5% MGC-803 cell apoptosis at a concentration of 5 μM.

Cell Migration Assay ^[1]

Cell Line:

MGC-803 cells, HCT-116 cells
Concentration:

1.0 μM, 2.0 μM, 4 μM
Incubation Time:

48 hours
Result:

Reduced the number of migrated of MGC-803 and HCT-116 cells. Inhibited the migration and invasion of cancer cells.

Cell Cycle Analysis^[1]

Cell Line:

MGC-803 cells, HCT-116 cells
Concentration:

1.0 μM, 2.5 μM, 5.0 μM
Incubation Time:

48 hours
Result:

Induced G2/M cycle arrest in MGC-803 and HCT-116 cells.

Parmacokinetics

Species	Dose	Route	T_1/2	CL	AUC_0-t	AUC_0-∞	C_max	V_z/F	T_max	F
Rat^[1]	1 mg/kg	i.v.	0.37 h	1.61 mL/min/kg	644.1 ng·h/mL	645.8 ng·h/mL	1892.8 ng/mL	0.82 L/kg	/	/
Rat^[1]	10 mg/kg	p.o.	2.75 h	/	685.2 ng·h/mL	766.2 ng·h/mL	716.4 ng/mL	52.2 L/kg	0.25 h	10.6 %

In Vivo

HDAC-IN-57 (Compound 5e) (1 mg.kg for i.v., 10 mg/kg for p.o.) shows a T_1/2 of 0.37 h (i.v.) and 2.75 h (p.o.), and oral bioavailability (F%) of 10.6%^[1].
HDAC-IN-57 (25 or 50 mg/kg, oral gavage once daily for 21 consecutive days) achieves a dose-dependent inhibition for tumor growth in an MGC-803 xenograft model with NOD-SCID mice^[1].
.

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

Animal Model:

NOD-SCID mouse MGC-803 xenograft model^[1]
Dosage:

25 mg/kg; 50 mg/kg
Administration:

p.o.; once daily; for 21 days
Result:

Inhibited tumor growth in a dose-dependent manner.

Related Protocols :

Chemical Information

CAS. Nr. 2716217-79-5
Appearance Solid
Molecular Weight 377.39
Formel C₂₁H₁₉N₃O₄
Color White to off-white
SMILES

O=C(C1=CC=C(CNC(C2=CC(C3=CC=C(OC)C=C3)=NC=C2)=O)C=C1)NO
Versand

Room temperature in continental US; may vary elsewhere.
Speicherung

4°C, sealed storage, away from moisture

* In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture)

Publications (1)

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Journal Impact Factor

Int J Parasitol Drugs Drug Resist

2026 May 17;31:100649.

Lösungsmittel & Löslichkeit

In Vitro:

DMSO : 50 mg/mL (132.49 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

2.6498 mL

13.2489 mL

26.4978 mL

5 mM

0.5300 mL

2.6498 mL

5.2996 mL

10 mM

0.2650 mL

1.3249 mL

2.6498 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 (sealed storage, away from moisture). 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 (6.62 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 (6.62 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 (278 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]. Duan Y, et al. Discovery of novel, potent, and orally bioavailable HDACs inhibitors with LSD1 inhibitory activity for the treatment of solid tumors. Eur J Med Chem. 2023 Jun 5;254:115367. [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

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg
DMSO	1 mM	2.6498 mL	13.2489 mL	26.4978 mL	66.2445 mL
	5 mM	0.5300 mL	2.6498 mL	5.2996 mL	13.2489 mL
	10 mM	0.2650 mL	1.3249 mL	2.6498 mL	6.6244 mL
	15 mM	0.1767 mL	0.8833 mL	1.7665 mL	4.4163 mL
	20 mM	0.1325 mL	0.6624 mL	1.3249 mL	3.3122 mL
	25 mM	0.1060 mL	0.5300 mL	1.0599 mL	2.6498 mL
	30 mM	0.0883 mL	0.4416 mL	0.8833 mL	2.2081 mL
	40 mM	0.0662 mL	0.3312 mL	0.6624 mL	1.6561 mL
	50 mM	0.0530 mL	0.2650 mL	0.5300 mL	1.3249 mL
	60 mM	0.0442 mL	0.2208 mL	0.4416 mL	1.1041 mL
	80 mM	0.0331 mL	0.1656 mL	0.3312 mL	0.8281 mL
	100 mM	0.0265 mL	0.1325 mL	0.2650 mL	0.6624 mL

Bioz

Keywords

HDAC-IN-57

1 Cited Publications

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HDAC-IN-57

Publications Citing Use of MedChemExpress (MCE) HDAC-IN-57

Alle HDAC Isoform-spezifische Produkte anzeigen

Alle Histone Demethylase Isoform-spezifische Produkte anzeigen