Tubulin/HDAC-IN-1
Tubulin/HDAC-IN-1 is a dual tubulin and HDAC-IN-1 inhibitor through CH/π interaction with tubulin and hydrogen bond interaction with HDAC8. Tubulin/HDAC-IN-1 inhibits tubulin polymerization and selectively inhibits HDAC8 (IC50: 150 nM). Tubulin/HDAC-IN-1 has cytotoxicity against various human cancer cells, also arrests cell cycle in the G2/M phase and induces cell apoptosis. Tubulin/HDAC-IN-1 can be used in the research of hematologic and solid tumors such as neuroblastoma, leukemia.
For research use only. We do not sell to patients.
- CAS No.: 2413587-26-3
- Formula: C21H18N4O3
- Molecular Weight:374.39
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Storage:
Please store the product under the recommended conditions in the Certificate of Analysis.
Biological Activity
Description
IC50 & Target
[1]|
HDAC8 150 nM (IC50) |
HDAC6 1 μM (IC50) |
HDAC11 1.9 μM (IC50) |
Cellular Effect
|
Cell Line
|
Type | Value | Description | References |
|---|---|---|---|---|
| A549 | IC50 |
0.84 nM
Compound: 12a
|
Antiproliferative activity against human A549 cells after 72 hrs by CellTiter Glo assay
Antiproliferative activity against human A549 cells after 72 hrs by CellTiter Glo assay
|
[PMID: 35797900] |
| HCT-116 | GI50 |
0.5 nM
Compound: 12a
|
Antiproliferative activity against human HCT-116 cells after 72 hrs by CellTiter Glo assay
Antiproliferative activity against human HCT-116 cells after 72 hrs by CellTiter Glo assay
|
[PMID: 35797900] |
| HT-29 | IC50 |
0.62 nM
Compound: 12a
|
Antiproliferative activity against human HT-29 cells after 72 hrs by CellTiter Glo assay
Antiproliferative activity against human HT-29 cells after 72 hrs by CellTiter Glo assay
|
[PMID: 35797900] |
| K562 | IC50 |
0.35 nM
Compound: 12a
|
Antiproliferative activity against human K562 cells after 72 hrs by CellTiter Glo assay
Antiproliferative activity against human K562 cells after 72 hrs by CellTiter Glo assay
|
[PMID: 35797900] |
| K562 | IC50 |
0.56 nM
Compound: 12a
|
Antiproliferative activity against imatinib-resistant human K562 cells over expressing MDR1 after 72 hrs by CellTiter Glo assay
Antiproliferative activity against imatinib-resistant human K562 cells over expressing MDR1 after 72 hrs by CellTiter Glo assay
|
[PMID: 35797900] |
| MCF7 | IC50 |
0.78 nM
Compound: 12a
|
Antiproliferative activity against human MCF7 cells after 72 hrs by CellTiter Glo assay
Antiproliferative activity against human MCF7 cells after 72 hrs by CellTiter Glo assay
|
[PMID: 35797900] |
| MDA-MB-231 | IC50 |
0.7 nM
Compound: 12a
|
Antiproliferative activity against human MDA-MB-231 cells after 72 hrs by CellTiter Glo assay
Antiproliferative activity against human MDA-MB-231 cells after 72 hrs by CellTiter Glo assay
|
[PMID: 35797900] |
| MIA PaCa-2 | IC50 |
0.94 nM
Compound: 12a
|
Antiproliferative activity against human MIA PaCa-2 cells after 72 hrs by CellTiter Glo assay
Antiproliferative activity against human MIA PaCa-2 cells after 72 hrs by CellTiter Glo assay
|
[PMID: 35797900] |
| NCI-N87 | IC50 |
0.1 nM
Compound: 12a
|
Antiproliferative activity against human NCI-N87 cells after 72 hrs by CellTiter Glo assay
Antiproliferative activity against human NCI-N87 cells after 72 hrs by CellTiter Glo assay
|
[PMID: 35797900] |
| SK-OV-3 | IC50 |
0.6 nM
Compound: 12a
|
Antiproliferative activity against human SK-OV-3 cells after 72 hrs by CellTiter Glo assay
Antiproliferative activity against human SK-OV-3 cells after 72 hrs by CellTiter Glo assay
|
[PMID: 35797900] |
In Vitro
Tubulin/HDAC-IN-1 (Compound 12a, 72 h) shows cytotoxicity against various human cancer cell lines with an averaged IC50 value of 0.6 nM[1].
Tubulin/HDAC-IN-1 (2 nM, 24 h) induces HT29 cell cycle arrest in the G2/M phase and produces caspase-induced apoptosis of HT29 cells through mitochondrial dysfunction[1].
Tubulin/HDAC-IN-1 selectively inhibits HDAC8 (IC50: 150 nM), inhibits HDAC6 and HDAC11 with IC 50 values of 1 μM and 1.9 μM respectively[1].
Tubulin/HDAC-IN-1 (0.5-100 nM, 24 h/30 min) dose-dependently increases γH2AX level and acetylated SMC3 in HT-29 cells[1].
Tubulin/HDAC-IN-1 (5-15 μΜ, 0-40 min) inhibits tubulin polymerization in a dose-dependent manner, with a maximal effect achieved at 10 μM[1].
Tubulin/HDAC-IN-1 (250 nM, 30 min) depolymerizes the cell microtubule network, and the effect is not specific[1].
Tubulin/HDAC-IN-1 shows good in vitro metabolic stability expressed by the intrinsic clearance CLint (given in μL/min/mg protein) using rat liver microsomes (RLM) and human liver microsomes (HLM)[1].
| Compound | RLM | RLM | HLM | HLM |
| t1/2 (h) | CLint | t1/2 | CLint | |
| Tubulin/HDAC-IN-1 | 6.6 | 1.75 | 32 | 0.36 |
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Cell Line:Various tumor cell lines as below
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Concentration:
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Incubation Time:72 h
-
Result:Activities of Tubulin/HDAC-IN-1 (Compound 12a) against various tumor cell lines (IC50 nM):
NCIN87 K562 K562R MiaPaca2 SKOV3 A549 MCF-7 MDA-MB-231 HCT116 HT-29 Tubulin/HDAC-IN-1 0.1 0.35 0.56 0.94 0.6 0.84 0.78 0.7 0.6 0.62
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Cell Line:HT-29 cells
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Concentration:0.5, 1, 5, 10 nM for γH2AX; 0.5, 1, 100 nM for acetylated SMC3
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Incubation Time:24 h for γH2AX, 30 min for acetylated SMC3
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Result:Dose-dependently increased γH2AX level and acetylated SMC3.
In Vivo
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Animal Model:Allogeneic sarcoma model in C57BL/6 mice[1]
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Dosage:0.1, 0.25, 0.50 mg/kg, three times a week for two weeks.
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Administration:Intratumoral injection
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Result:Decreased tumor growth and extended the overall survival of treated mice with no obvious side effects.
Chemical Information
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CAS No. 2413587-26-3
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Molecular Weight 374.39
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Formula C21H18N4O3
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SMILES
CN(C1=CC=C(OC)C(/C=C/C(NO)=O)=C1)C2=CC(C#N)=NC3=C2C=CC=C3
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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
References
Calculators
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)