HDAC-IN-53

Name: HDAC-IN-53
Brand: MedChemExpress
SKU: HY-149208
Rating: 4.5 (1 reviews)

Cat. No.: HY-149208 Purity: 95.73%: Data Sheet
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HDAC-IN-53 is an orally active, and selective HDAC1-3 inhibitor with IC₅₀ values of 47 nM, 125 nM, and 450 nM, respectively. HDAC-IN-53 does not inhibit class II HDACs (HDAC4, 5, 6, 7, 9; IC₅₀>10 μM). HDAC-IN-53 induces caspase-dependent apoptosis. HDAC-IN-53 significantly inhibits the growth of human tumor xenografts in nude mice and murine tumor growth in immune-competent mice bearing MC38 colon cancer.

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

HDAC-IN-53 Chemical Structure

CAS No. : 2921948-27-6

Size	Stock	Quantity
1 mg	In-stock	Estimated Time of Arrival: December 31
5 mg	In-stock	Estimated Time of Arrival: December 31
10 mg	In-stock	Estimated Time of Arrival: December 31
25 mg	In-stock	Estimated Time of Arrival: December 31
50 mg	In-stock	Estimated Time of Arrival: December 31
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200 mg	Get quote

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Based on 1 publication(s) in Google Scholar

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View All Isoforms

HDAC HDAC1 HDAC2 HDAC3 HDAC4 HDAC5 HDAC6 HDAC7 HDAC8 HDAC9 HDAC10 HDAC11 HD1 HD2

Biological Activity
Purity & Documentation
References
Customer Review

Description

IC₅₀ & Target^[1]

HDAC1

47 nM (IC₅₀)

HDAC2

125 nM (IC₅₀)

HDAC3

450 nM (IC₅₀)

HDAC4

>10 μM (IC₅₀)

HDAC5

>10 μM (IC₅₀)

HDAC6

>10 μM (IC₅₀)

HDAC7

>10 μM (IC₅₀)

HDAC8

>10 μM (IC₅₀)

HDAC9

>10 μM (IC₅₀)

Cellular Effect

Cell Line	Type	Value	Description	References
A549	IC₅₀	1425 nM Compound: 19h	Antiproliferative activity against human A549 cells assessed as reduction of cell viability incubated for 72 hrs by CCK-8 assay Antiproliferative activity against human A549 cells assessed as reduction of cell viability incubated for 72 hrs by CCK-8 assay	[PMID: 36934335]
CAKI-1	IC₅₀	252 nM Compound: 19h	Antiproliferative activity against human CAKI-1 cells assessed as reduction of cell viability incubated for 72 hrs by CCK-8 assay Antiproliferative activity against human CAKI-1 cells assessed as reduction of cell viability incubated for 72 hrs by CCK-8 assay	[PMID: 36934335]
DOHH-2	IC₅₀	65 nM Compound: 19h	Antiproliferative activity against human DOHH-2 cells assessed as reduction of cell viability incubated for 72 hrs by CCK-8 assay Antiproliferative activity against human DOHH-2 cells assessed as reduction of cell viability incubated for 72 hrs by CCK-8 assay	[PMID: 36934335]
ES-2	IC₅₀	15 nM Compound: 19h	Antiproliferative activity against human ES2 cells assessed as reduction of cell viability incubated for 72 hrs by CCK-8 assay Antiproliferative activity against human ES2 cells assessed as reduction of cell viability incubated for 72 hrs by CCK-8 assay	[PMID: 36934335]
HCT-116	IC₅₀	0.56 μM Compound: 19h	Antiproliferative activity against human HCT-116 cells assessed as reduction of cell viability incubated for 72 hrs by CCK-8 assay Antiproliferative activity against human HCT-116 cells assessed as reduction of cell viability incubated for 72 hrs by CCK-8 assay	[PMID: 36934335]
HEK293	IC₅₀	1256 nM Compound: 19h	Antiproliferative activity against human HEK293 cells assessed as reduction of cell viability incubated for 72 hrs by CCK-8 assay Antiproliferative activity against human HEK293 cells assessed as reduction of cell viability incubated for 72 hrs by CCK-8 assay	[PMID: 36934335]
HeLa	IC₅₀	644 nM Compound: 19h	Antiproliferative activity against human HeLa cells assessed as reduction of cell viability incubated for 72 hrs by CCK-8 assay Antiproliferative activity against human HeLa cells assessed as reduction of cell viability incubated for 72 hrs by CCK-8 assay	[PMID: 36934335]
Jurkat	IC₅₀	126 nM Compound: 19h	Antiproliferative activity against human Jurkat cells assessed as reduction of cell viability incubated for 72 hrs by CCK-8 assay Antiproliferative activity against human Jurkat cells assessed as reduction of cell viability incubated for 72 hrs by CCK-8 assay	[PMID: 36934335]
K562	IC₅₀	345 nM Compound: 19h	Antiproliferative activity against human K562 cells assessed as reduction of cell viability incubated for 72 hrs by CCK-8 assay Antiproliferative activity against human K562 cells assessed as reduction of cell viability incubated for 72 hrs by CCK-8 assay	[PMID: 36934335]
MC-38	IC₅₀	0.66 μM Compound: 19h	Antiproliferative activity against mouse MC38 cells assessed as reduction of cell viability incubated for 72 hrs by CCK-8 assay Antiproliferative activity against mouse MC38 cells assessed as reduction of cell viability incubated for 72 hrs by CCK-8 assay	[PMID: 36934335]
MDA-MB-231	IC₅₀	425 nM Compound: 19h	Antiproliferative activity against human MDA-MB-231 cells assessed as reduction of cell viability incubated for 72 hrs by CCK-8 assay Antiproliferative activity against human MDA-MB-231 cells assessed as reduction of cell viability incubated for 72 hrs by CCK-8 assay	[PMID: 36934335]
MIA PaCa-2	IC₅₀	297 nM Compound: 19h	Antiproliferative activity against human MIA PaCa-2 cells assessed as reduction of cell viability incubated for 72 hrs by CCK-8 assay Antiproliferative activity against human MIA PaCa-2 cells assessed as reduction of cell viability incubated for 72 hrs by CCK-8 assay	[PMID: 36934335]
NCI-N87	IC₅₀	607 nM Compound: 19h	Antiproliferative activity against human NCI-N87 cells assessed as reduction of cell viability incubated for 72 hrs by CCK-8 assay Antiproliferative activity against human NCI-N87 cells assessed as reduction of cell viability incubated for 72 hrs by CCK-8 assay	[PMID: 36934335]
PC-3	IC₅₀	1657 nM Compound: 19h	Antiproliferative activity against human PC-3 cells assessed as reduction of cell viability incubated for 72 hrs by CCK-8 assay Antiproliferative activity against human PC-3 cells assessed as reduction of cell viability incubated for 72 hrs by CCK-8 assay	[PMID: 36934335]
PC-9	IC₅₀	249 nM Compound: 19h	Antiproliferative activity against human PC-9 cells assessed as reduction of cell viability incubated for 72 hrs by CCK-8 assay Antiproliferative activity against human PC-9 cells assessed as reduction of cell viability incubated for 72 hrs by CCK-8 assay	[PMID: 36934335]
ZR-75-1	IC₅₀	1125 nM Compound: 19h	Antiproliferative activity against human ZR-75-1 cells assessed as reduction of cell viability incubated for 72 hrs by CCK-8 assay Antiproliferative activity against human ZR-75-1 cells assessed as reduction of cell viability incubated for 72 hrs by CCK-8 assay	[PMID: 36934335]

In Vitro

HDAC-IN-53 (compound 19h) has good antiproliferative activity against a panel of cancer cell lines, for example MC38 (IC₅₀=0.66 μM), HCT116 cell (IC₅₀=0.56 μM) ^[1].
HDAC-IN-53 (0.1-1 μM; 24 h) causes G0/G1 cell cycle arrest in MC38 cells and induces G2/M cell cycle arrest in HCT116 cells^[1].
HDAC-IN-53 (0.1-1 μM; 24 h) upregulates the expressions of cleaved caspase-3 and cleaved PARP in a dose-dependent manner^[1].

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

Cell Cycle Analysis^[1]

Cell Line:	MC38 and HCT116 cells
Concentration:	0.1, 0.3, 1 μM
Incubation Time:	24 h
Result:	Caused G0/G1 cell cycle arrest in MC38 cells and induced G2/M cell cycle arrest in HCT116 cells. Significantly decreased the proportion of S phase cells in MC38 cells.

Western Blot Analysis^[1]

Cell Line:	MC38 and HCT116 cells
Concentration:	0.1, 0.3, 1 μM
Incubation Time:	24 h
Result:	Upregulated the expressions of cleaved caspase-3 and cleaved PARP in a dose-dependent manner.

In Vivo

HDAC-IN-53 (60 or 120 mg/kg; PO; daily for 15 days) exerts antitumor activities by both direct tumor growth inhibition and indirect immune cell-mediated antitumor effect^[1].
Pharmacokinetic Parameters of HDAC-IN-53 in Mice^[1].

	IV (5 mg/kg)	PO (20 mg/kg)
T_max (h)		0.42
C_max (ng/mL)	8129	9558
AUC_0-t (ng/mL∗h)	5864	15278
t_1/2 (h)	0.85	2.49
F (%)		65.1%

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

Animal Model:	C57BL/6 Mice or athymic nude mice (female, 6-8 weeks old) with MC38 cells^[1]
Dosage:	60 or 120 mg/kg
Administration:	PO; daily for 15 days
Result:	Yielded TGI values of 60.3 and 87.6%, respectively. Increased the percentage of CD4+ T cells.

Molecular Weight

461.90

Formula

C₂₃H₂₀ClN₇O₂

CAS No.

2921948-27-6

Appearance

Solid

Color

White to off-white

SMILES

NC1=NN(C2=CC=CC=C2Cl)N=C1C(NCC3=CC=C(C=C3)C(NC4=CC=CC=C4N)=O)=O

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 (216.50 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	2.1650 mL	10.8249 mL	21.6497 mL
5 mM	0.4330 mL	2.1650 mL	4.3299 mL
10 mM	0.2165 mL	1.0825 mL	2.1650 mL

View the Complete Stock Solution Preparation Table

* 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
Dilution Calculator

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

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

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

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Working solution concentration: mg/mL

Purity & Documentation

Purity: 95.73%

Select Batch:

Data Sheet (277 KB) SDS (251 KB)

COA (248 KB) HNMR (292 KB) RP-HPLC (248 KB) LCMS (104 KB)

Handling Instructions (2659 KB)

References

[1]. Nan Sun, et al. Design and Synthesis of Triazole-Containing HDAC Inhibitors That Induce Antitumor Effects and Immune Response. J Med Chem. 2023 Apr 13;66(7):4802-4826. [Content Brief]

Complete Stock Solution Preparation Table

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg

DMSO	1 mM	2.1650 mL	10.8249 mL	21.6497 mL	54.1243 mL
	5 mM	0.4330 mL	2.1650 mL	4.3299 mL	10.8249 mL
	10 mM	0.2165 mL	1.0825 mL	2.1650 mL	5.4124 mL
	15 mM	0.1443 mL	0.7217 mL	1.4433 mL	3.6083 mL
	20 mM	0.1082 mL	0.5412 mL	1.0825 mL	2.7062 mL
	25 mM	0.0866 mL	0.4330 mL	0.8660 mL	2.1650 mL
	30 mM	0.0722 mL	0.3608 mL	0.7217 mL	1.8041 mL
	40 mM	0.0541 mL	0.2706 mL	0.5412 mL	1.3531 mL
	50 mM	0.0433 mL	0.2165 mL	0.4330 mL	1.0825 mL
	60 mM	0.0361 mL	0.1804 mL	0.3608 mL	0.9021 mL
	80 mM	0.0271 mL	0.1353 mL	0.2706 mL	0.6766 mL
	100 mM	0.0216 mL	0.1082 mL	0.2165 mL	0.5412 mL

HDAC-IN-53 Related Classifications

Help & FAQs

Do most proteins show cross-species activity?
Species cross-reactivity must be investigated individually for each product. Many human cytokines will produce a nice response in mouse cell lines, and many mouse proteins will show activity on human cells. Other proteins may have a lower specific activity when used in the opposite species.

Keywords:

HDAC-IN-532921948-27-6HDACApoptosisHistone deacetylasesOrallyclass II HDACcaspase-dependentMC38colon cancerHCT116PARPcaspase-3Inhibitorinhibitorinhibit

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HDAC-IN-53

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Complete Stock Solution Preparation Table

HDAC-IN-53 Related Classifications

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