A2AAR/HDAC-IN-1 

A2AAR/HDAC-IN-1 (compound 14c) is an orally active, potent and balanced A_2AAR/HDAC dual inhibitor, with a K_i of 163.5 nM for A_2AAR and an IC₅₀ of 145.3 nM for HDAC1. A2AAR/HDAC-IN-1 shows anticancer activity^[1].

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.

A2AAR/HDAC-IN-1 (compound 14c) (30 or 60 mg/kg, IP, twice daily for 9 days) shows potent anti-tumor effects in the mouse MC38 xenograft model^[1].
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.

Animal Model:	Male ICR mice (6-8 weeks, ~25 g body weight, MC38 colon cancer model)[1]
Dosage:	30 or 60 mg/kg
Administration:	IP, twice daily for 9 days
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%.

Animal Model:	Male ICR mice (6-8 weeks, ~25 g body weight, MC38 colon cancer model)[1]
Dosage:	90 mg/kg, bid; 150 mg/kg, qd
Administration:	Oral gavage, twice daily (90 mg/kg) or daily (150 mg/kg), for 15 days
Result:	Showed only weak tumor suppression even at a dose of 90 mg/kg (po, bid), with inhibition rates of 44%.

Animal Model:	Male ICR mice (6-8 weeks, ~25 g body weight)[1]
Dosage:	5 mg/kg (IV) and 20 mg/kg (PO, IP)
Administration:	Orally, IP, or IV; once (Pharmacokinetic Analysis)
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 Molecular Weight 439.47 Formula C24H21N7O2 CAS No. 2767560-51-8 SMILES NC1=CC=CC=C1NC(C2=CC=C(C=C2)CCN3N=CC4=C(N=C(N=C43)N)C5=CC=CO5)=O 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 Data Sheet (279 KB) Handling Instructions (2659 KB) References [1]. Zhang J, et al. Dual-acting antitumor agents targeting the A2A adenosine receptor and histone deacetylases: Design and synthesis of 4-(furan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine derivatives. Eur J Med Chem. 2022 Jun 5;236:114326.  [Content Brief] [1]. Zhang J, et al. Dual-acting antitumor agents targeting the A2A adenosine receptor and histone deacetylases: Design and synthesis of 4-(furan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine derivatives. Eur J Med Chem. 2022 Jun 5;236:114326. Rating Lot Number * Submit an Image No file chosen (Maximum size is: 1024 Kb) PubMed ID If you have published this work, please enter the PubMed ID. Show My Name Your name will appear on the site. Email Remarks A2AAR/HDAC-IN-1 Related Classifications Cell Cycle/DNA Damage Epigenetics GPCR/G Protein HDAC Adenosine Receptor Molarity Calculator Dilution Calculator The molarity calculator equation Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol) Mass   Concentration   Volume   Molecular Weight * kg g mg μg ng pg = M mM μM nM pM × L mL μL × The dilution calculator equation Concentration (start) × Volume (start) = Concentration (final) × Volume (final) This equation is commonly abbreviated as: C1V1 = C2V2 Concentration (start) × Volume (start) = Concentration (final) × Volume (final) M mM μM nM pM × L mL μL = M mM μM nM pM × L mL μL C1   V1   C2   V2 Help & FAQs Do most proteins show cross-species activity? Species cross-reactivity must be investigated individually for each product. Many human cytokines will produce a nice response in mouse cell lines, and many mouse proteins will show activity on human cells. Other proteins may have a lower specific activity when used in the opposite species. Keywords: A2AAR/HDAC-IN-12767560-51-8HDACAdenosine ReceptorHistone deacetylasesP1 receptorBifunctionalCancerImmunotherapyCT26MC38colon cancerInhibitorinhibitorinhibit Your Recently Viewed Products: Inquiry Online Your information is safe with us. * Required Fields. Product Name   Salutation Dr. Prof. Mr. Ms. Mrs. Miss. 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Product Name   Lot # Applicant Name *   Email Address * Phone Number   Department * Organization Name *   Country or Region * United StatesCanadaUnited KingdomAustraliaChinaGermanyFranceJapanKorea SouthSwitzerland------------------------------AlbaniaAlgeriaArgentinaArmeniaAustraliaAustriaAzerbaijanBahrainBangladeshBarbadosBelarusBelgiumBoliviaBosnia HerzegovinaBrazilBulgariaCameroonCanadaChileChinaColombiaCroatiaCyprusCzech RepublicDenmarkEcuadorEgyptEstoniaFijiFinlandFranceGeorgiaGermanyGibraltarGreeceHong Kong, ChinaHungaryIcelandIndiaIndonesiaIranIraqIrelandIsraelItalyJapanJordanKazakhstanKenyaKorea SouthKuwaitLatviaLebanonLibyaLithuaniaLuxembourgMacedoniaMalaysiaMaltaMexicoMoldovaMonacoMongoliaMontenegroMoroccoNepalNetherlandsNew ZealandNigeriaNorwayOmanPakistanParaguayPeruPhilippinesPolandPortugalPuerto RicoQatarRepublic of BeninRomaniaRussiaSaudi ArabiaSerbiaSingaporeSlovakiaSloveniaSouth AfricaSpainSri LankaSurinameSwedenSwitzerlandSyriaTaiwan, ChinaThailandTunisiaTurkeyUkraineUnited Arab EmiratesUnited KingdomUnited StatesUruguayUzbekistanVenezuelaVietnamZambiaZimbabweOther CountriesMacao, China Remarks Request for HNMR Report We have received your request and will respond to you as soon as possible. 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