JMJD3/HDAC-IN-1

Cat. No.: HY-156094: Data Sheet Handling Instructions
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JMJD3/HDAC-IN-1 (compound A5b) is a dual inhibitor targeting Jumonji domain-containing protein demethylase 3 (JMJD3) and histone deacetylase (HDAC1, IC₅₀=16 nM). JMJD3/HDAC-IN-1 promotes hypermethylation of histone H3K27 and hyperacetylation of H3K9, and also cleaves caspase-7 and PARP to induce apoptosis. JMJD3/HDAC-IN-1 effectively inhibits cancer cell cloning, migration, and invasion.

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

JMJD3/HDAC-IN-1 Chemical Structure

CAS No. : 2883046-06-6

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•Related Small Molecules:

•Related Proteins:

View All HDAC Isoform Specific Products:

View All Isoforms

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

View All Histone Demethylase Isoform Specific Products:

View All Isoforms

KDM1/LSD1 KDM2 KDM3 KDM4 KDM5 KDM6 KDM7

Biological Activity
Purity & Documentation
References
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Description

IC₅₀ & Target

IC50: 16 nM (HDAC1), 534 nM (HDAC6)^[1]

Cellular Effect

Cell Line	Type	Value	Description	References
A549	IC₅₀	8.4 μM Compound: A5b	Antiproliferative activity against human A549 cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay Antiproliferative activity against human A549 cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay	[PMID: 37660833]
HCT-116	IC₅₀	1.63 μM Compound: A5b	Antiproliferative activity against human HCT-116 cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay Antiproliferative activity against human HCT-116 cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay	[PMID: 37660833]
HT-29	IC₅₀	0.52 μM Compound: A5b	Antiproliferative activity against human HT-29 cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay Antiproliferative activity against human HT-29 cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay	[PMID: 37660833]
HeLa	IC₅₀	1.91 μM Compound: A5b	Antiproliferative activity against human HeLa cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay Antiproliferative activity against human HeLa cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay	[PMID: 37660833]
MCF7	IC₅₀	3.43 μM Compound: A5b	Antiproliferative activity against human MCF7 cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay Antiproliferative activity against human MCF7 cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay	[PMID: 37660833]
SW480	IC₅₀	2.47 μM Compound: A5b	Antiproliferative activity against human SW480 cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay Antiproliferative activity against human SW480 cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay	[PMID: 37660833]
T47D	IC₅₀	3.22 μM Compound: A5b	Antiproliferative activity against human T47D cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay Antiproliferative activity against human T47D cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay	[PMID: 37660833]
U-937	IC₅₀	3.3 μM Compound: A5b	Antiproliferative activity against human U-937 cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay Antiproliferative activity against human U-937 cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay	[PMID: 37660833]

Molecular Weight

398.50

Formula

C₂₁H₃₀N₆O₂

CAS No.

2883046-06-6

SMILES

O=C(CCCCCNC1=NC(C2=NC=CC=C2)=NC(N3CCCCCC3)=C1)NO

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Please store the product under the recommended conditions in the Certificate of Analysis.

Purity & Documentation

Handling Instructions (2659 KB)

References

[1]. Li A, et al. Design, synthesis and biological evaluation of pyrimidine base hydroxamic acid derivatives as dual JMJD3 and HDAC inhibitors. Bioorg Med Chem Lett. 2023 Oct 1;94:129466.. . [Content Brief]

JMJD3/HDAC-IN-1 Related Classifications

Molarity Calculator
Dilution Calculator

The molarity calculator equation

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

Mass		Concentration		Volume		Molecular Weight *
	=		×		×

The dilution calculator equation

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)	×	Volume _(start)	=	Concentration _(final)	×	Volume _(final)
	×		=		×
C1		V1		C2		V2

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:

JMJD3/HDAC-IN-12883046-06-6HDACApoptosisHistone DemethylaseHistone deacetylasesAntitumorDual inhibitorJMJD3Structure activity relationship analysisInhibitorinhibitorinhibit

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