HDAC-IN-57
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.
For research use only. We do not sell to patients.
- CAS No.: 2716217-79-5
- Formula: C21H19N3O4
- Molecular Weight:377.39
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Storage:
Please store the product under the recommended conditions in the Certificate of Analysis.
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Biological Activity
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Chemical Information
- Purity & Documentation
- References
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Help & FAQs
Biological Activity
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HDAC1 2.07 nM (IC50) |
HDAC2 4.71 nM (IC50) |
HDAC6 2.4 nM (IC50) |
HDAC8 107 nM (IC50) |
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Cell Line
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Type | Value | Description | References |
|---|---|---|---|---|
| A549 | IC50 |
1.48 μM
Compound: 5e
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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
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[PMID: 37086699] |
| GES1 | IC50 |
8.66 μM
Compound: 5e
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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
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[PMID: 37086699] |
| HCT-116 | IC50 |
0.57 μM
Compound: 5e
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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
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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
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[PMID: 37086699] |
| MOLT-4 | IC50 |
0.25 μM
Compound: 5e
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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
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[PMID: 37086699] |
| MV4-11 | IC50 |
0.14 μM
Compound: 5e
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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
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[PMID: 37086699] |
| THP-1 | IC50 |
0.47 μM
Compound: 5e
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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] |
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 T1/2 values over 120 min[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Cell Line:MGC-803 cells, HCT-116 cells
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Concentration:1.5 μM
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Incubation Time:48 hours
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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.
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Cell Line:MGC-803 cells, HCT-116 cells
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Concentration:1.0 μM, 2.5 μM, 5.0 μM
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Incubation Time:48 hours
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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.
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Cell Line:MGC-803 cells, HCT-116 cells
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Concentration:1.0 μM, 2.0 μM, 4 μM
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Incubation Time:48 hours
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Result:Reduced the number of migrated of MGC-803 and HCT-116 cells. Inhibited the migration and invasion of cancer cells.
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Cell Line:MGC-803 cells, HCT-116 cells
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Concentration:1.0 μM, 2.5 μM, 5.0 μM
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Incubation Time:48 hours
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Result:Induced G2/M cycle arrest in MGC-803 and HCT-116 cells.
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].
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MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Animal Model:MGC-803 xenograft model in NOD-SCID mice[1]
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Dosage:25 or 50 mg/ kg
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Administration:Oral gavage (p.o.);
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Result:Achieved a dose-dependent tumor growth inhibition (TGI) of 44.8% at 25 mg/kg and 71.5% at 50 mg/kg.
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Animal Model:Male SD rats (Pharmacokinetic assay)[1]
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Dosage:1 mg/kg; 10 mg/kg
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Administration:Intravenous injection (i.v.); Oral gavage (p.o.)
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Result:Pharmacokinetic parameters for HDAC-IN-57 (Compound 5e) in SD rats[1]
Route Dose (mg/kg) T1/2 (h) Tmax (h) CL (mL•min-1/kg-1) AUC0-t (h•ng/mL) AUC0-Ꝏ (h•ng/mL) Cmax (ng/mL) VZ (L/kg) F (%) i.v. 1 0.37 / 1.61 644.1 645.8 1892.8 0.82 / p.o. 10 2.75 0.25 / 685.2 766.2 716.4 52.2 10.6 
Chemical Information
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CAS No. 2716217-79-5
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Molecular Weight 377.39
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Formula C21H19N3O4
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SMILES
O=C(C1=CC=C(CNC(C2=CC(C3=CC=C(OC)C=C3)=NC=C2)=O)C=C1)NO
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Shipping
Room temperature in continental US; may vary elsewhere.
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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%
References
Calculators
Molarity CalculatorMass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)= × ×Dilution CalculatorConcentration (start) × Volume (start) = Concentration (final) × Volume (final)
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HDAC-IN-57 Related Classifications
Cat. No.: HY-149946
KeywordsAssay Types -
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