A2AAR/HDAC-IN-1
A2AAR/HDAC-IN-1 (compound 14c) is an orally active, potent and balanced A2AAR/HDAC dual inhibitor, with a Ki of 163.5 nM for A2AAR and an IC50 of 145.3 nM for HDAC1. A2AAR/HDAC-IN-1 shows anticancer activity.
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- CAS. Nr.: 2767560-51-8
- Formel: C24H21N7O2
- Molecular Weight:439.47
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Speicherung:
Please store the product under the recommended conditions in the Certificate of Analysis.
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Biologische Aktivität
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Chemical Information
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Biologische Aktivität
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A2AR 163.5 ± 14 nM (Ki) |
A1AR 503.3 ± 14 nM (Ki) |
hA2B >10000 nM (Ki) |
Adenosine A3 receptor >10000 nM (Ki) |
HDAC1 145.3 ± 12 nM (IC50) |
HDAC2 240.2 ± 19 nM (IC50) |
HDAC3 443.5 ± 27 nM (IC50) |
HDAC6 >10000 nM (IC50) |
HDAC8 >10000 nM (IC50) |
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Cell Line
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Type | Value | Description | References |
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| CT26 | GI50 |
0.38 μM
Compound: 14c
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Antiproliferative activity against mouse CT26 cells after 72 hrs by CCK-8 assay
Antiproliferative activity against mouse CT26 cells after 72 hrs by CCK-8 assay
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[PMID: 35390714] |
| MC-38 | GI50 |
0.29 μM
Compound: 14c
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Antiproliferative activity against mouse MC38 cells after 72 hrs by CCK-8 assay
Antiproliferative activity against mouse MC38 cells after 72 hrs by CCK-8 assay
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[PMID: 35390714] |
A2AAR/HDAC-IN-1 (compound 14c) (0-100 μM, 72 h) shows anti-proliferative activities against colon cancer cell lines, CT26 and MC38[1].
A2AAR/HDAC-IN-1 (0-5 μM, 24 h) increases histone acetylation[1].
A2AAR/HDAC-IN-1 shows moderate selectivity against A1AR (3-fold) and no significant binding for A2BAR and A3AR[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Cell Line:Colon cancer cell lines (CT26 and MC38)
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Concentration:0-100 μM
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Incubation Time:72 h
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Result:Displayed good cytotoxicity in CT26 and MC38 cells, with GI50 values of 0.29 ± 0.03 μM and 0.38 ± 0.03 μM, respectively.
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Cell Line:MC38 mouse colon cancer cells
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Concentration:0, 0.1, 1, and 5 μM
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Incubation Time:24 h
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Result:Increased histone H3 and H4 acetylation in a concentration-dependent manner.
A2AAR/HDAC-IN-1 (90 mg/kg, bid; 150 mg/kg, qd; Oral gavage, for 15 days) shows weak tumor suppression[1].
A2AAR/HDAC-IN-1 (5 mg/kg, IV; 20 mg/kg PO or IP; once) shows an overall favorable pharmacokinetic profile[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Animal Model:Male ICR mice (6-8 weeks, ~25 g body weight, MC38 colon cancer model)[1]
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Dosage:30 or 60 mg/kg
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Administration:IP, twice daily for 9 days
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Result:Significantly inhibited tumor growth at a dosage of 30 mg/kg (ip, bid), with a tumor growth inhibition (TGI) rate of 68%. At a dosage of 60 mg/kg, the TGI rate was further increased to 85%.
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Animal Model:Male ICR mice (6-8 weeks, ~25 g body weight, MC38 colon cancer model)[1]
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Dosage:90 mg/kg, bid; 150 mg/kg, qd
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Administration:Oral gavage, twice daily (90 mg/kg) or daily (150 mg/kg), for 15 days
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Result:Showed only weak tumor suppression even at a dose of 90 mg/kg (po, bid), with inhibition rates of 44%.
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Animal Model:Male ICR mice (6-8 weeks, ~25 g body weight)[1]
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Dosage:5 mg/kg (IV) and 20 mg/kg (PO, IP)
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Administration:Orally, IP, or IV; once (Pharmacokinetic Analysis)
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Result:Pharmacokinetic Parameters of A2AAR/HDAC-IN-1 in male ICR mice[1].
PK Parameters po (20 mg/kg) iv (5 mg/kg) ip (20 mg/kg) Kel (h-1) 0.390 ± 0.187 1.820 ± 0.300 0.844 ± 0.021 t1/2 (h) 2.24 ± 1.16 0.389 ± 0.070 0.83 ± 0.02 Tmax (h) 0.333 ± 0.14 0.25 ± 0.00 Cmax (ng/mL) 3417 ± 1639 4703 ± 735 8411 ± 693 C0 (ng/mL) 6498 ± 1285 AUC0-t (ng/mL·h) 3602 ± 1807 2098 ± 143 10022 ± 931 CL (mL/min/kg) 39.3 ± 2.3 33.5 ± 3.1 --> 
Chemical Information
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CAS. Nr. 2767560-51-8
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Molecular Weight 439.47
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Formel C24H21N7O2
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SMILES
NC1=CC=CC=C1NC(C2=CC=C(C=C2)CCN3N=CC4=C(N=C(N=C43)N)C5=CC=CO5)=O
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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.
Reinheit & Dokumentation
Select Batch:Reinheit: 99.98%Assay: 99.98%ee.: 99.98%
Verweise
Calculators
MolaritätsrechnerMass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)= × ×VerdünnungsrechnerKonzentration (Stammlösung) × Volumen (Stammlösung) = Konzentration (Ziellösung) × Volumen (Ziellösung)
×=×
A2AAR/HDAC-IN-1 Related Classifications
HY-143324 Related Classifications
Keywords
Assay Types -
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