HDAC-IN-31
Based on 1 publication(s) in Google Scholar
HDAC-IN-31 is a potent, selective and orally active HDAC inhibitor with IC50s of 84.90, 168.0, 442.7, >10000 nM for HDAC1, HDAC2, HDAC3, HDAC8, respectively. HDAC-IN-31 induces apoptosis and cell cycle arrests at G2/M phase. HDAC-IN-31 shows good antitumor efficacy. HDAC-IN-31 has the potential for the research of diffuse large B-cell lymphoma.
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- CAS. Nr.: 1916505-13-9
- Formel: C25H24N4O2
- Molecular Weight:412.48
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Speicherung:
Please store the product under the recommended conditions in the Certificate of Analysis.
Publications Citing Use of MedChemExpress (MCE) HDAC-IN-31
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Biologische Aktivität
Beschreibung
IC50 & Target
[1]|
HDAC1 84.90 nM (IC50) |
HDAC2 168.0 nM (IC50) |
HDAC3 442.7 nM (IC50) |
HDAC8 >10000 nM (IC50) |
Cellular Effect
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Cell Line
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Type | Value | Description | References |
|---|---|---|---|---|
| 786-0 | IC50 |
0.6 μM
Compound: 24g
|
Antiproliferative activity against human 786-O cells incubated for 72 hrs by luminescence assay
Antiproliferative activity against human 786-O cells incubated for 72 hrs by luminescence assay
|
[PMID: 34954594] |
| A549 | IC50 |
2.85 μM
Compound: 24g
|
Antiproliferative activity against human A549 cells incubated for 72 hrs by luminescence assay
Antiproliferative activity against human A549 cells incubated for 72 hrs by luminescence assay
|
[PMID: 34954594] |
| CCRF-CEM | IC50 |
0.48 μM
Compound: 24g
|
Antiproliferative activity against human CCRF-CEM cells incubated for 72 hrs by luminescence assay
Antiproliferative activity against human CCRF-CEM cells incubated for 72 hrs by luminescence assay
|
[PMID: 34954594] |
| COLO-678 | IC50 |
8.02 μM
Compound: 24g
|
Antiproliferative activity against human COLO-678 cells incubated for 72 hrs by luminescence assay
Antiproliferative activity against human COLO-678 cells incubated for 72 hrs by luminescence assay
|
[PMID: 34954594] |
| CWR22R | IC50 |
1.14 μM
Compound: 24g
|
Antiproliferative activity against human 22Rv1 cells incubated for 72 hrs by luminescence assay
Antiproliferative activity against human 22Rv1 cells incubated for 72 hrs by luminescence assay
|
[PMID: 34954594] |
| DOHH-2 | IC50 |
0.39 μM
Compound: 24g
|
Antiproliferative activity against human DOHH-2 cells incubated for 72 hrs by luminescence assay
Antiproliferative activity against human DOHH-2 cells incubated for 72 hrs by luminescence assay
|
[PMID: 34954594] |
| HCT-116 | IC50 |
1.16 μM
Compound: 24g
|
Antiproliferative activity against human HCT-116 cells incubated for 72 hrs by luminescence assay
Antiproliferative activity against human HCT-116 cells incubated for 72 hrs by luminescence assay
|
[PMID: 34954594] |
| HT-29 | IC50 |
2.41 μM
Compound: 24g
|
Antiproliferative activity against human HT-29 cells incubated for 72 hrs by luminescence assay
Antiproliferative activity against human HT-29 cells incubated for 72 hrs by luminescence assay
|
[PMID: 34954594] |
| HuT78 | IC50 |
0.8 μM
Compound: 24g
|
Antiproliferative activity against human HuT78 cells incubated for 72 hrs by luminescence assay
Antiproliferative activity against human HuT78 cells incubated for 72 hrs by luminescence assay
|
[PMID: 34954594] |
| MDA-MB-231 | IC50 |
2.29 μM
Compound: 24g
|
Antiproliferative activity against human MDA-MB-231 cells incubated for 72 hrs by luminescence assay
Antiproliferative activity against human MDA-MB-231 cells incubated for 72 hrs by luminescence assay
|
[PMID: 34954594] |
| MOLT-4 | IC50 |
0.38 μM
Compound: 24g
|
Antiproliferative activity against human MOLT-4 cells incubated for 72 hrs by luminescence assay
Antiproliferative activity against human MOLT-4 cells incubated for 72 hrs by luminescence assay
|
[PMID: 34954594] |
| NCI-H441 | IC50 |
2.62 μM
Compound: 24g
|
Antiproliferative activity against human NCI-H441 cells incubated for 72 hrs by luminescence assay
Antiproliferative activity against human NCI-H441 cells incubated for 72 hrs by luminescence assay
|
[PMID: 34954594] |
| NCI-H460 | IC50 |
1.58 μM
Compound: 24g
|
Antiproliferative activity against human NCI-H460 cells incubated for 72 hrs by luminescence assay
Antiproliferative activity against human NCI-H460 cells incubated for 72 hrs by luminescence assay
|
[PMID: 34954594] |
| Rec1 | IC50 |
0.33 μM
Compound: 24g
|
Antiproliferative activity against human REC1 cells incubated for 72 hrs by luminescence assay
Antiproliferative activity against human REC1 cells incubated for 72 hrs by luminescence assay
|
[PMID: 34954594] |
| RS4-11 | IC50 |
0.47 μM
Compound: 24g
|
Antiproliferative activity against human RS4-11 cells incubated for 72 hrs by luminescence assay
Antiproliferative activity against human RS4-11 cells incubated for 72 hrs by luminescence assay
|
[PMID: 34954594] |
| SK-OV-3 | IC50 |
3.17 μM
Compound: 24g
|
Antiproliferative activity against human SK-OV-3 cells incubated for 72 hrs by luminescence assay
Antiproliferative activity against human SK-OV-3 cells incubated for 72 hrs by luminescence assay
|
[PMID: 34954594] |
| SU-DHL-2 | IC50 |
0.51 μM
Compound: 24g
|
Antiproliferative activity against human SUDHL2 cells incubated for 72 hrs by luminescence assay
Antiproliferative activity against human SUDHL2 cells incubated for 72 hrs by luminescence assay
|
[PMID: 34954594] |
| TMD8 | IC50 |
0.31 μM
Compound: 24g
|
Antiproliferative activity against human TMD8 cells incubated for 72 hrs by luminescence assay
Antiproliferative activity against human TMD8 cells incubated for 72 hrs by luminescence assay
|
[PMID: 34954594] |
In Vitro
HDAC-IN-31 (compound 24g) (2 µM) shows growth-inhibitory activities with the inhibition rate of 2.32%, 44.01%, 48.53%, 64.94% for TMD-8, HCT 116, A549, MDA-MB-231 cells[1].
HDAC-IN-31 (1 µM) shows selectivity with the IC50s of 84.9, 168.0, 442.7, >10000 nM for HDAC 1, HDAC 2, HDAC 3, HDAC 8, and 81.20%, 84.43%, 88.07%, 92.34%, 96.88%, 91.98% enzyme activity for HDAC4, HDAC 5,HDAC 7, HDAC9, HDAC 6, HDAC 11, respectively[1].
HDAC-IN-31 (2.5, 5, 7.5, 10 µM; 24 h) increases the expression of HDAC1, Ace-H3, Ace-H4, Cleaved PARP, Cleaved Caspase-3 in a dose-dependent manner[1].
HDAC-IN-31 (0-4 µM; 24 h)induce apoptosis and cell cycle arrests in G2/M phase in a dose-dependent manner[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only. Further protocols information, click here.
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Cell Line:MDA-MB-231, A549, NCI-H460, HCT-116,SK-OV-3, HT-29, COLO 678, NCI-H441, 22Rv1, 786-O, TMD-8, DOHH-2, CCRF-CEM, SU-DHL-2, REC-1, MOLT-4, HUT-78, RS4;11 cells
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Concentration:0-20 µM
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Incubation Time:72 h
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Result:Showed a broad spectrum of antitumor activity with the IC50s of 2.29, 2.85, 1.58, 1.16, 3.17, 2.41, 8.02, 2.62, 1.14, 0.60, 0.31, 0.39, 0.48, 0.51, 0.33, 0.38, 0.80, 0.47 µM for MDA-MB-231, A549, NCI-H460, HCT-116, SK-OV-3, HT-29, COLO 678, NCI-H441, 22Rv1, 786-O, TMD-8, DOHH-2, CCRF-CEM, SU-DHL-2, REC-1, MOLT-4, HUT-78, RS4;11 cells, respectively.
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Cell Line:TMD-8 cells
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Concentration:2.5, 5, 7.5, 10 µM
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Incubation Time:24 h
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Result:Promoted the HDAC1, HDAC2, HDAC3 substrate Ace-H3 and Ace-H4 acetylation with a dose-dependent manner.
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Cell Line:TMD-8 cells
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Concentration:0.5, 1, 2, 4 µM
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Incubation Time:24 h
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Result:Induced cell apoptosis at a concentration-dependent manner.
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Cell Line:TMD-8 cells
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Concentration:250, 500, 1000 nM
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Incubation Time:24 h
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Result:Arrested the cell cycle at G2/M phase in a dose-dependent manner.
In Vivo
HDAC-IN-31 (50, 100 mg/kg; p.o, daily for 21 consecutive days) shows good antitumor efficacy in a TMD-8 xenograft model without obvious toxicity[1].
Pharmacokinetic Parameters of HDAC-IN-31 in mice[1].
| Parameters | Unit | 24 g (25 mg/kg) |
| Cmax | ng·h·mL-1 | 3100±231 |
| T1/2(po) | h | 4.4±0.3 |
| AUC0-inf(iv) | ng·h·mL-1 | 1040±142 |
| AUC0-inf(po) | ng·h·mL-1 | 5180±252 |
| MRTPO | h | 2.6±0.4 |
| F | % | 39.9±2.1 |
Pharmacokinetic Parameters of HDAC-IN-31 in tumor models[1].
| Parameters | Unit | po (25 mg/kg) | po (50 mg/kg) | po (100 mg/kg) |
| Cmax | ng·h·mL-1 | 1700±317 | 14700±1024 | 10700±1001 |
| AUC0-t | ng·h·mL-1 | 1220±242 | 9710±314 | 9740±230 |
| AUC0-inf | ng·h·mL-1 | 1230±165 | 9730±341 | 9770±332 |
| MRT0-t | h | 0.750±0.043 | 0.812±0.023 | 1.43±0.56 |
| MRT0-inf | h | 0.805±0.086 | 0.821±0.041 | 1.51±0.32 |
Pharmacokinetic Parameters of HDAC-IN-31 in tumor models[1].
| PK parameters | Unit | iv (2 mg/kg) | po (10 mg/kg) | po (100 mg/kg) |
| Cmax | ng·h·mL-1 | 3960±413 | 58300±1352 | |
| T1/2 | h | 0.427±0.016 | 1.31±0.27 | 1.63±0.52 |
| AUC0-inf | ng·h·mL-1 | 1250±132 | 2670±286 | 57200±1047 |
| MRT | h | 0.402±0.032 | 0.919±0.052 | 0.897±0.041 |
| CL | mL·kg·min-1 | 27.2±1.2 | ||
| F | % | 45.6±1.2 | 91.8±2.3 |
Pharmacokinetic Parameters of HDAC-IN-31 in tumor models[1].
| PK parameters | Unit | Monkey | Dog | ||
| iv (1 mg/kg) | po (10 mg/kg) | iv (1 mg/kg) | po (10 mg/kg) | ||
| Cmax | ng·h·mL-1 | 8520±301 | 4740±243 | ||
| T1/2 | h | 4.31±0.56 | 9.14±0.32 | 1.65±0.41 | 1.51±0.33 |
| AUC0-inf | ng·h·mL-1 | 15700±1842 | 53200±1241 | 2550±365 | 15100±2004 |
| MRT | h | 3.41±0.12 | 8.28±0.32 | 2.26±0.41 | 2.71±0.32 |
| CL | mL·kg·min-1 | 1.35±0.21 | 6.72±0.35 | ||
| Vdss | L·kg-1 | 0.34±0.22 | 0.55±0.04 | ||
| F | % | 27.6±2.1 | 58.9±1.2 | ||
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Animal Model:ICR mice[1]
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Dosage:2 mg/kg for i.v.; 25 mg/kg for p.o.(DMSO/PEG200/saline = 20:20:60, v/v/v)
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Administration:I.v. or p.o.
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Result:Showed high oral bioavailability (F=40%).
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Animal Model:Mouse[1]
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Dosage:25, 50, 100 mg/kg
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Administration:P.o.
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Result:Did not exhibit a significant dose dependent for oral administration.
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Animal Model:ICR mice[1]
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Dosage:2, 10, 100 mg/kg (into the form of hydrochloride)
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Administration:2 mg/kg for i.v.; 10, 100 mg/kg for p.o.
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Result:Showed good bioavailability with a significant dose dependent.
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Animal Model:Dogs and monkeys[1]
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Dosage:1, 10 mg/kg
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Administration:1 mg/kg for i.v.; 10 mg/kg for p.o.
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Result:Showed good pharmacokinetic characteristics for different species.
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Animal Model:5-6 weeks, female CB.17 SCID mice (TMD-8 tumor xenografts)[1]
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Dosage:50, 100 mg/kg
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Administration:P.o, daily for 21 consecutive days
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Result:Inhibited the tumor growth with the inhibition rate of 77% and had no significant effect on the internal organs of mice at 100 mg/kg/d.
Chemical Information
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CAS. Nr. 1916505-13-9
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Molecular Weight 412.48
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Formel C25H24N4O2
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SMILES
O=C(NC1=CC=CC=C1N)C2=CC=C(CN3C(/C(CCC3)=C/C4=NC=CC=C4)=O)C=C2
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Versand
Room temperature in continental US; may vary elsewhere.
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Speicherung
Please store the product under the recommended conditions in the Certificate of Analysis.
Publications (1)
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Journal Impact Factor
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Most Recent
Protokoll
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Detection of Apoptosis
Apoptosis, also called programmed cell death, is generally characterized by distinct morphological characteristics.
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TUNEL staining for apoptotic DNA fragmentation
TUNEL staining detects DNA strand breaks by using terminal deoxynucleotidyl transferase to add labeled nucleotides to exposed 3′-OH DNA termini, generating either microscopic staining in fixed cells or tissue sections, or fluorescence/cytometric signal in cell suspensions. TUNEL positivity reflects DNA fragmentation but should not be interpreted alone as definitive apoptosis, because TUNEL can also label necrotic, autolytic, mechanically damaged, or DNA-repair-associated DNA breaks.
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Flow cytometric DNA-content cell-cycle staining
Flow cytometric DNA-content cell-cycle staining measures the fluorescence intensity of DNA-bound fluorochromes in single cells or nuclei to estimate DNA content distributions, allowing assignment of populations to G0/G1, S, and G2/M phases by DNA histogram deconvolution. Propidium iodide (PI) intercalates into DNA, and PI fluorescence is proportional to cellular DNA content when staining is performed under conditions that make DNA accessible and minimize non-DNA signal. Cells with G2/M DNA content are expected to show approximately twice the fluorescence intensity of G0/G1 cells, while S-phase cells occupy intermediate fluorescence values. PI-based DNA-content analysis can also detect cells with fractional DNA content, often reported as sub-G1, when DNA fragmentation and extraction during staining reduce retained DNA signal in apoptotic cells. DAPI is an alternative DNA fluorochrome for univariate DNA-content analysis, while bivariate approaches combining DNA content with proliferation
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Annexin V plus membrane-impermeant dye apoptosis staining
Annexin V-based apoptosis assays rely on the detection of phosphatidylserine (PS) externalization from the inner leaflet of the plasma membrane to the outer leaflet, an early biochemical hallmark of apoptosis. Fluorescently labeled Annexin V binds PS in a calcium-dependent manner, enabling identification of early apoptotic cells by flow cytometry or fluorescence microscopy. When combined with a membrane-impermeant DNA-binding dye (e. g. , propidium iodide), this approach allows discrimination between viable (Annexin V−/dye−), early apoptotic (Annexin V+/dye−), and late apoptotic or necrotic (Annexin V+/dye+) cell populations by assessing membrane integrity and PS exposure.
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BrdU Incorporation Assay
Bromodeoxyuridine (BrdU) incorporation assay is based on the principle that BrdU, a thymidine analog, is incorporated into newly synthesized DNA during the S phase of the cell cycle, thereby serving as a marker of DNA replication and cellular proliferation. Incorporated BrdU can be detected using anti-BrdU antibodies following DNA denaturation, enabling visualization or quantification of proliferating cells through immunochemical detection methods such as immunofluorescence or immunohistochemistry.
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Patient-Derived Xenograft (PDX)
Patient-derived xenograft (PDX) models are generated by engrafting primary human tumor tissue directly into immunodeficient mice, allowing in vivo propagation of patient tumor biology without initial in vitro adaptation. These models are used to preserve key histopathological and molecular characteristics of the original tumor and enable assessment of tumor growth dynamics and therapeutic response in a living organism. The biological readout is tumor engraftment and subsequent growth in the murine host, which reflects the ability of human tumor cells to survive, vascularize, and expand in an immunocompromised microenvironment.
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Apoptosis Solutions
Apoptosis is a regulated, generally non-lytic cell-death pathway that removes unwanted, damaged, infected, or abnormal cells through coordinated morphological changes, caspase activation, DNA fragmentation, and membrane remodeling. The intrinsic apoptosis pathway is controlled mainly by mitochondrial outer membrane permeabilization, BCL-2 family proteins, cytochrome c release, apoptosome formation, caspase-9 activation, and downstream executioner caspase-3/7 activation. The extrinsic apoptosis pathway is initiated by death receptors such as Fas, TNFR, and TRAIL receptors, which recruit adaptor proteins and activate caspase-8 before engaging executioner caspases or mitochondrial amplification through BID cleavage. Apoptosis is linked to many phenotypes, including cancer cell killing, tissue homeostasis, immune regulation, neurodegeneration, infection response, and treatment-induced cytotoxicity; unresolved questions include how apoptosis interacts with necroptosis, pyroptosis, ferroptos
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Protocol for Cell Cycle
Cell-cycle analysis by flow cytometry measures DNA content in single cells to estimate the fraction of cells in G0/G1, S, and G2/M phases. Propidium iodide intercalates into DNA, and after RNA removal with RNase, fluorescence intensity reflects cellular DNA content: 2N cells are assigned to G0/G1, cells between 2N and 4N to S phase, and 4N cells to G2/M. DNA-content analysis alone cannot reliably separate G0 from G1 or G2 from M. Ki-67 can distinguish quiescent G0 cells from cycling cells, EdU or BrdU incorporation marks active DNA synthesis in S phase, and phospho-histone H3 staining identifies mitotic cells within the 4N population.
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