≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Information
A2AR antagonist 1 A2AR antagonist 1 is a potent A2AR (Adenosine A2A Receptor) antagonist with Ki values of 4 nM and 264 nM for A2AR and A1R, respectively.
Targets
A2AR (Cell-free); A1R (Cell-free) 4 nM(Ki); 264 nM(Ki)
| ALogP | 3.005 |
|---|---|
| hba_count | 4 |
| HBD Count | 1 |
| Rotatable Bond | 3 |
| Pubchem Sid | 504765031 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504765031 |
| Canonical Smiles | C1=CC=C(C(=C1)CN2C3=NC(=NC(=C3C=N2)C4=CC=CO4)N)F |
| IUPAC Name | 1-[(2-fluorophenyl)methyl]-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine |
| InChIKey | JEEJMSUHUZNTCD-UHFFFAOYSA-N |
| INCHI | 1S/C16H12FN5O/c17-12-5-2-1-4-10(12)9-22-15-11(8-19-22)14(20-16(18)21-15)13-6-3-7-23-13/h1-8H,9H2,(H2,18,20,21) |
| Isomeric SMILES | C1=CC=C(C(=C1)CN2C3=NC(=NC(=C3C=N2)C4=CC=CO4)N)F |
| Molecular Weight | 309.3 |
| Reaxy-Rn | 14251892 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14251892&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyrazolopyrimidines |
| Subclass | Pyrazolo[3,4-d]pyrimidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrazolo[3,4-d]pyrimidines |
| Alternative Parents | Fluorobenzenes Aminopyrimidines and derivatives Aryl fluorides Pyrazoles Heteroaromatic compounds Furans Oxacyclic compounds Azacyclic compounds Primary amines Organooxygen compounds Organofluorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrazolo[3,4-d]pyrimidine - Aminopyrimidine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Heteroaromatic compound - Azole - Pyrazole - Furan - Oxacycle - Azacycle - Organonitrogen compound - Organooxygen compound - Primary amine - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organofluoride - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrazolo[3,4-d]pyrimidines. These are aromatic heterocyclic compounds containing a pyrazolo[3,4-d]pyrimidine ring system, which consists of a pyrazole ring fused to but and not sharing a nitrogen atom with a pyrimidine ring. |
| External Descriptors | Not available |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 F23131615 | Certificate of Analysis | Mar 18, 2026 | A414068 |
| F23131644 | Certificate of Analysis | Mar 18, 2026 | A414068 |
| F23131647 | Certificate of Analysis | Mar 18, 2026 | A414068 |
| F23131654 | Certificate of Analysis | Mar 18, 2026 | A414068 |
| F23131693 | Certificate of Analysis | Mar 18, 2026 | A414068 |
| F23131697 | Certificate of Analysis | Mar 18, 2026 | A414068 |
| F23131703 | Certificate of Analysis | Mar 18, 2026 | A414068 |
| F23131709 | Certificate of Analysis | Mar 18, 2026 | A414068 |
| K2505094 | Certificate of Analysis | May 19, 2023 | A414068 |
| Solubility | Solubility (25°C) In vitro DMSO: 61 mg/mL (197.21 mM); Water: Insoluble; Ethanol: Insoluble; |
|---|---|
| DMSO(mg / mL) Max Solubility | 61 |
| DMSO(mM) Max Solubility | 197.219528 |
| Water(mg / mL) Max Solubility | ＜1 |
| Molecular Weight | 309.300 g/mol |
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 309.103 Da |
| Monoisotopic Mass | 309.103 Da |
| Topological Polar Surface Area | 82.800 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 414.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
