WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H130083
CAS#: N/A
Description: The A1/A3 AR antagonist A17 is a A1R/A3R dual antagonist that has been shown to display long residence time of binding at both receptors.
Hodoodo Cat#: H130083
Name: A1/A3 AR antagonist A17
CAS#: N/A
Chemical Formula: C22H19N5O3
Exact Mass: 401.15
Molecular Weight: 401.430
Elemental Analysis: C, 65.83; H, 4.77; N, 17.45; O, 11.96
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Synonym: A1/A3 AR antagonist A17
IUPAC/Chemical Name: 3-phenyl-7-((3,4,5-trimethoxyphenyl)amino)-1H-pyrazolo[3,4-c]pyridine-5-carbonitrile
InChi Key: QGDXZJBGCQOZLE-UHFFFAOYSA-N
InChi Code: InChI=1S/C22H19N5O3/c1-28-17-10-14(11-18(29-2)21(17)30-3)24-22-20-16(9-15(12-23)25-22)19(26-27-20)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,24,25)(H,26,27)
SMILES Code: COC1=CC(NC2=NC(C#N)=CC3=C2NN=C3C4=CC=CC=C4)=CC(OC)=C1OC
Appearance: To be determined
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: To be determined
Shelf Life: >2 years if stored properly
Drug Formulation: To be determined
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
More Info:
Biological target: | |
In vitro activity: | |
In vivo activity: |
The following data is based on the product molecular weight 401.43 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
---|---|---|---|
1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
Formulation protocol: | |
In vitro protocol: | |
In vivo protocol: |
1. Stampelou M, Suchankova A, Tzortzini E, Dhingra L, Barkan K, Lougiakis N, Marakos P, Pouli N, Ladds G, Kolocouris A. Dual A1/A3 Adenosine Receptor Antagonists: Binding Kinetics and Structure-Activity Relationship Studies Using Mutagenesis and Alchemical Binding Free Energy Calculations. J Med Chem. 2022 Oct 13;65(19):13305-13327. doi: 10.1021/acs.jmedchem.2c01123. Epub 2022 Sep 29. PMID: 36173355.