| Size | Price | |
|---|---|---|
| 500mg | ||
| 1g | ||
| Other Sizes |
| Targets |
Adenosine A2B receptor.
|
|---|---|
| ln Vitro |
ATL-801 demonstrates high affinity for the human A2B receptor, with a Ki value of 19.32 ± 2.2 nM. It exhibits significant selectivity, showing much lower affinity for the human A1 receptor (Ki=4983±2661 nM), human A2A receptor (Ki=662.7±90.9 nM), and human A3 receptor (Ki=6314±1828 nM). For the murine A2B receptor, the Ki is 187±96.3 nM, with even lower affinity for murine A1 (Ki=5162±610 nM), A2A (15% inhibition at 10 µM), and A3 (10% inhibition at 10 µM) receptors. This high selectivity is crucial for minimizing off-target effects and accurately studying the specific role of the A2B receptor in biological systems.
|
| ln Vivo |
ATL-801 functions as a selective A2B receptor antagonist, effectively blocking the activity of the A2B receptor. It inhibits adenosine-induced cAMP levels and short circuit current (Isc). In the DSS model of colitis, ATL-801 (10 mg kg−1) attenuates clinical signs of colitis, including weight loss and bloody stool. In murine models of bladder and breast cancer, ATL-801 slows tumor growth and reduces metastases by 85%.
|
| Enzyme Assay |
A2B receptor antagonism inhibits proliferation and enhances apoptosis in IL-10−/− mice with piroxicam-induced colitis. ATL-801 slows the growth of MB49 bladder and 4T1 breast tumors in syngeneic mice and reduces metastases. The compound's ability to ameliorate colitis and slow tumor growth confirms its in vivo efficacy and validates the A2B receptor as a therapeutic target. Receptor binding assays are employed to determine the affinity of ATL-801 for the human and murine A2B receptors. These assays involve competitive binding studies using radiolabeled ligands to measure the compound's ability to displace the ligand from the receptor, providing Ki values for its interaction. The selectivity of ATL-801 is assessed by testing its affinity against other adenosine receptor subtypes (A1, A2A, A3). HEK293 cells stably transfected with the respective receptors are used for these assays.
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| Cell Assay |
Cellular assays are used to assess the antagonist activity of ATL-801 at the A2B receptor. This typically involves measuring its ability to inhibit agonist-induced cAMP levels in cells that express the A2B receptor. By blocking the receptor, ATL-801 prevents the downstream signaling cascade, providing a functional readout of its antagonist activity. Short circuit current (Isc) measurements are also used to assess its activity.
|
| Animal Protocol |
ATL-801 is administered to mouse models of colitis to evaluate its therapeutic efficacy. In the DSS model, mice are divided into groups receiving DSS alone, ATL-801 (10 mg kg−1) plus DSS, water alone, or ATL-801 plus water. Clinical signs of colitis (weight change, stool consistency, and occult blood) are assessed. In tumor models, ATL-801 is evaluated for its ability to slow tumor growth and reduce metastases in syngeneic mice.
|
| References |
| Molecular Formula |
C24H25N7O3
|
|---|---|
| Molecular Weight |
459.51
|
| Exact Mass |
459.202
|
| CAS # |
1000005-71-9
|
| PubChem CID |
24780665
|
| Appearance |
Typically exists as solid at room temperature
|
| LogP |
2.754
|
| tPSA |
118.77
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
6
|
| Rotatable Bond Count |
7
|
| Heavy Atom Count |
34
|
| Complexity |
791
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O=C1N(CCC)C2=C(C(N1C1CC1)=O)NC(C1C=NC(=CC=1)N(C(C1C=NC=CC=1)=O)CC)=N2
|
| InChi Key |
WULKGVCEOREGQF-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C24H25N7O3/c1-3-12-30-21-19(23(33)31(24(30)34)17-8-9-17)27-20(28-21)15-7-10-18(26-14-15)29(4-2)22(32)16-6-5-11-25-13-16/h5-7,10-11,13-14,17H,3-4,8-9,12H2,1-2H3,(H,27,28)
|
| Chemical Name |
N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)pyridin-2-yl]-N-ethylpyridine-3-carboxamide
|
| Synonyms |
ATL801 ATL 801ATL-801
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| HS Tariff Code |
2934.99.9001
|
| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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|---|---|
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.1762 mL | 10.8812 mL | 21.7623 mL | |
| 5 mM | 0.4352 mL | 2.1762 mL | 4.3525 mL | |
| 10 mM | 0.2176 mL | 1.0881 mL | 2.1762 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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