HDAC/Top-IN-1

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HDAC/Top-IN-1 is an orally active and pan HDAC/Top dual inhibitor with IC₅₀s of 0.036 μM, 0.14 μM, 0.059 μM, 0.089 μM and 9.8 μM for HDAC1, HDAC2, HDAC3, HDAC6 and HDAC8. HDAC/Top-IN-1 efficiently induces apoptosis with S cell-cycle arrest in HEL cells. HDAC/Top-IN-1 has exhibits excellent in vivo antitumor efficacy.

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

HDAC/Top-IN-1 Chemical Structure

CAS No. : 2411379-14-9

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Topoisomerase Topo I Topo II

Biological Activity
Purity & Documentation
References
Customer Review

Description

IC₅₀ & Target^[1]

HDAC1

34 nM (IC₅₀)

HDAC2

140 nM (IC₅₀)

HDAC3

59 nM (IC₅₀)

HDAC6

89 nM (IC₅₀)

HDAC8

9.8 μM (IC₅₀)

Cellular Effect

Cell Line	Type	Value	Description	References
A549	IC₅₀	0.68 μM Compound: 16j	Antiproliferative activity against human A549 cells assessed as cell growth inhibition incubated for 8 hrs by CCK8 assay Antiproliferative activity against human A549 cells assessed as cell growth inhibition incubated for 8 hrs by CCK8 assay	[PMID: 35238576]
HCT-116	IC₅₀	0.21 μM Compound: 16j	Antiproliferative activity against human HCT-116 cells assessed as cell growth inhibition incubated for 8 hrs by CCK8 assay Antiproliferative activity against human HCT-116 cells assessed as cell growth inhibition incubated for 8 hrs by CCK8 assay	[PMID: 35238576]
HEL	IC₅₀	0.029 μM Compound: 16j	Antiproliferative activity against HEL cells assessed as cell growth inhibition incubated for 8 hrs by CCK8 assay Antiproliferative activity against HEL cells assessed as cell growth inhibition incubated for 8 hrs by CCK8 assay	[PMID: 35238576]
HepG2	IC₅₀	0.26 μM Compound: 16j	Antiproliferative activity against human HepG2 cells assessed as cell growth inhibition incubated for 8 hrs by CCK8 assay Antiproliferative activity against human HepG2 cells assessed as cell growth inhibition incubated for 8 hrs by CCK8 assay	[PMID: 35238576]
K562	IC₅₀	0.35 μM Compound: 16j	Antiproliferative activity against human K562 cells assessed as cell growth inhibition incubated for 8 hrs by CCK8 assay Antiproliferative activity against human K562 cells assessed as cell growth inhibition incubated for 8 hrs by CCK8 assay	[PMID: 35238576]
MCF7	IC₅₀	> 2 μM Compound: 16j	Antiproliferative activity against human MCF7 cells assessed as cell growth inhibition incubated for 8 hrs by CCK8 assay Antiproliferative activity against human MCF7 cells assessed as cell growth inhibition incubated for 8 hrs by CCK8 assay	[PMID: 35238576]

In Vitro

HDAC/Top-IN-1 (compound 16j) (0-2 μM; 48 hours) exhibits remarkable inhibitory activities against the tested cell lines^[1].
HDAC/Top-IN-1 (20 and 100 nM; 24 hours) dramatically increases acetyl-H3 and acetyl-H4 levels in HEL cells^[1].
HDAC/Top-IN-1 (0.1 and 0.5 μM; 48 hours) effectively induces HEL cell apoptosis in a dose-dependent manner^[1].
HDAC/Top-IN-1 (0.02-0.5 μM; 48 hours) arrests HEL cells at the S phase^[1].

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

Cell Proliferation Assay

Cell Line:	MCF-7, A549, HCT116, HepG-2, K562 and HEL^[1]
Concentration:	0-2 μM
Incubation Time:	48 hours
Result:	Exhibited remarkable inhibitory activities against the tested cell lines, and IC₅₀s of 0.68, 0.21, 0.26, 0.35 and 0.029 μM in MCF-7, A549, HCT116, HepG-2, K562 and HEL, respectively.

Western Blot Analysis

Cell Line:	HEL^[1]
Concentration:	20 and 100 nM
Incubation Time:	24 hours
Result:	Dramatically increased in acetyl-H3 and acetyl-H4 levels.

Apoptosis Analysis

Cell Line:	HEL^[1]
Concentration:	0.1 and 0.5 μM
Incubation Time:	48 hours
Result:	Led to 56.02% and 76.45% apoptotic cell death at concentration of 0.1 and 0.5 μM, respectively

Cell Cycle Analysis

Cell Line:	HEL^[1]
Concentration:	0.02, 0.1 and 0.5 μM
Incubation Time:	48 hours
Result:	The ratios in the S phase were changed dramatically 9.8%, 15.4%, and 25.8% at 0.02, 0.1 and 0.5 μM, respectively.

In Vivo

HDAC/Top-IN-1 exhibits good metabolic properties with a half-life (T_1/2) of 31.49 min, and the clearance is 173.32 mL/min/mg^[1].
HDAC/Top-IN-1 (5 and 10 mg/kg; PO; daily, for 14 days) exhibits potent oral antitumor activity^[1].

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

Animal Model:	Female BALB/C nude mice (5-6 weeks, 18-20 g; injected with human K562 cells)^[1]
Dosage:	5 and 10 mg/kg
Administration:	PO; daily, for 14 days
Result:	Exhibited potent oral antitumor activity at 5 mg/kg with a TGI value of 41.4% and a T/C value of 54.3%, and achieved better tumor growth inhibition with a TGI of 68.5% and a T/C of 25.5%.

Molecular Weight

512.53

Formula

C₂₉H₂₅FN₄O₄

CAS No.

2411379-14-9

SMILES

O=C1C2=C(N(C3N1CCC4=C3NC5=CC=C(OCC6=CC=C(C=C6)/C=C/C(NO)=O)C=C45)C)C=CC(F)=C2

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]. Wu S, Huang Y, Wang T, et al. Evodiamine-Inspired Topoisomerase-Histone Deacetylase Dual Inhibitors: Novel Orally Active Antitumor Agents for Leukemia Therapy. J Med Chem. 2022;65(6):4818-4831. [Content Brief]

HDAC/Top-IN-1 Related Classifications

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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/Top-IN-12411379-14-9HDACTopoisomeraseHistone deacetylasesAntitumorOrally activeHEL cellsCell cycleInhibitorinhibitorinhibit

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