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Cat. No.: HY-175487

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A2AAR antagonist 4

A2AAR antagonist 4 is an orally active A_2A Adenosine receptor antagonist with a K_i of 0.36 nM and a K_B of 1 nM at hA_2AAR. A2AAR antagonist 4 fully inhibits hA_2AAR and hA_2bAR at 10 μM. A2AAR antagonist 4 can be used for research of cancer, such as MC38 tiumor.

For research use only. We do not sell to patients.

CAS No.: 3114596-57-2
Formula: C₁₉H₂₁N₅O₃
Molecular Weight:367.40

Storage:

Please store the product under the recommended conditions in the Certificate of Analysis.

Data Sheet (272 KB)

A2AAR antagonist 4 Chemical Structure

CAS No.: 3114596-57-2

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Use of MCE Products

Strong Fluorescence Signal / Multi-Disciplinary Applications / High Fluorescence Specificity

Biological Activity
- Description
- IC₅₀ & Target
- In Vitro
- Parmacokinetics
- In Vivo
Chemical Information
Purity & Documentation
References
Calculators
Help & FAQs
Classifications
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Biological Activity

Description

IC₅₀ & Target

^[1]

hA_2AAR

0.36 nM (Ki)

hA_2AAR

1 nM (Kb)

hA_2B

85.8 nM (Ki)

hA₃

98.4 nM (Ki)

hA₁AR

286 nM (Ki)

All Adenosine Receptor Isoforms :

In Vitro

A2AAR antagonist 4 (Compound 4d) (10 μM) fully inhibits hA_2AAR, hA_2BAR and hA₃AR in CHO-A2A cell lines^[1].
A2AAR antagonist 4 (0.1-1000 nM) restores IL-2 secretion in PBMC cells by complete displacement of NECA, with EC₅₀ of 2.06 nM^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only. .

Parmacokinetics

Species	Dose	Route	AUC_0-t	C_max	T_max	CL	T_1/2	F
Mice^[1]	10 mg/kg	p.o.	446.06 ng·h/mL	321.31 ng/mL	0.25 h	339 mL/min	2.44 h	29.56 %
Mice^[1]	2 mg/kg	i.v.	316.23 ng·h/mL	959.84 ng/mL	0.08 h	102.7 mL/min	0.2 h	/

In Vivo

A2AAR antagonist 4 (Compound 4d) (100 mg/kg, p.o. or 50 mg/kg, i.p., twice a day for 14 days) significantly inhibits tumor growth in MC38 tumor mice^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Animal Model:

MC38 tumor mice models^[1]
Dosage:

50 or 100 mg/kg
Administration:

P.O or intraperitoneally injection (i.p.), twice a day for 14 days
Result:

Demonstrated significant tumor growth inhibition (TGI) of 33% TGI (p.o.) and 59% (i.p.).

Chemical Information

CAS No. 3114596-57-2
Molecular Weight 367.40
Formula C₁₉H₂₁N₅O₃
SMILES

O[C@@H]1CCO[C@H]1N2C3=C(N=C2C4=CC=CO4)C(N)=NC(C#CCCCC)=N3
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

Select Batch:

Purity: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (272 KB)
COA (2659 KB)
Elemental Analysis Report (2659 KB)
HNMR (2659 KB)
CNMR (2659 KB)
RP-HPLC (2659 KB)
NP-HPLC (2659 KB)
MS (2659 KB)
LCMS (2659 KB)
IR (2659 KB)
GC (2659 KB)
OR (2659 KB)
SDS-PAGE (2659 KB)
SEC-HPLC (2659 KB)
Other Report (2659 KB)
Handling Instructions (2659 KB)

References

[1]. Kim G, et al. Regio- and Stereoselective Ribose Modification in Truncated 2,8-Disubstituted Adenosine Scaffold to Develop Highly Potent A2AAdenosine Receptor Antagonists. J Med Chem. 2025 Aug 14;68(15):16802-16818. [Content Brief]

Calculators

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Help & FAQs

How should lyophilized recombinant proteins be reconstituted and stored?

1. Before opening the cap, centrifuge the vial at 13000 rpm for 20-30 seconds. This step will ensure that any lyophilized powder that may have adhered to the cap or walls is collected at the bottom of the vial, minimizing the risk of product loss.

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100 mg

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