MedKoo Cat#: 130083 | Name: A1/A3 AR antagonist A17

Description:

WARNING: This product is for research use only, not for human or veterinary use.

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.

Chemical Structure

A1/A3 AR antagonist A17
A1/A3 AR antagonist A17
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 130083

Name: A1/A3 AR antagonist A17

CAS#: N/A

Chemical Formula: C22H19N5O3

Exact Mass: 401.1488

Molecular Weight: 401.43

Elemental Analysis: C, 65.83; H, 4.77; N, 17.45; O, 11.96

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
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

Preparing Stock Solutions

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.

Recalculate based on batch purity %
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
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.