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Cat. No.: HY-144654

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HDAC/Top-IN-1

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.

CAS No.: 2411379-14-9
Formula: C₂₉H₂₅FN₄O₄
Molecular Weight:512.53

Storage:

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

Data Sheet (273 KB)

HDAC/Top-IN-1 Chemical Structure

CAS No.: 2411379-14-9

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Fluorescent Dye

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

Biological Activity
- Description
- IC₅₀ & Target
- Cellular Effect
- In Vitro
- In Vivo
Chemical Information
Purity & Documentation
References
Calculators
Help & FAQs
Classifications
Bioz

Biological Activity

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)

All HDAC Isoforms :

All Topoisomerase Isoforms :

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]
HEL	IC₅₀	29 nM Compound: 69	Antiproliferative activity against human HEL cells Antiproliferative activity against human HEL cells	[PMID: 36549115]
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%.

Chemical Information

CAS No. 2411379-14-9
Molecular Weight 512.53
Formula C₂₉H₂₅FN₄O₄
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

Select Batch:

Purity: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (273 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]. 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]

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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.

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Biological Activity
- Description
- IC₅₀ & Target
- In Vitro
- In Vivo
Chemical Information
Purity & Documentation
References

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HDAC/Top-IN-1

All HDAC Isoforms

All Topoisomerase Isoforms

Biological Activity

Chemical Information

Purity & Documentation

References

Calculators

Help & FAQs

HDAC/Top-IN-1 Related Classifications

HY-144654 Related Classifications