≥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.
PF-05085727 is a potent, selective and brain penetrant inhibitor of cGMP-dependent PDE2A ( IC 50 =2 nM). PF-05085727 inhibits PDE2A >4,000-fold selectivity over PDE1 and PDE3-11
In Vitro
PF-05085727 shows weak activity with IC 50 of 162 μM to induce cell death in a cellular toxicity assay using transformed human liver endothelial (THLE) cells. PF-05085727 (3 μM) shows a minimal inhibition of cytochrome P450 enzymes (CYPs), inhibits 1A2, 2C8, 2C9, 2D6 and 3A4 with percentage% of 16%, 18%, 7%, 4%, and 30%, respectively. PF-05085727 (10 μM) inhibits PDE1B, PDE4B, PDE7B and PDE10A with IC 50 values of 12.146 μM, 22,503 μM, 13.157 μM and 6.515 μM, respectively. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
PF-05085727 (subcutaneous injection; 3.2 mg/kg/mice; 3 mg/kg/rat) gives a ratio of unbound brain (C bu ) to unbound plasma (C pu ) of ca. 0.27 and 0.37, respectively . PF-05085727 in mice leads to an acute and exposure-dependent elevation in the accumulation of bulk levels of cGMP in cortex, striatum, and hippocampus as measured by enzyme-linked immunosorbent assay . MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:PDE2A 2 nM (IC 50 )
| Canonical Smiles | CN1C(=C(C=N1)C2=NN(C3=C2C(=NC=N3)N4CCC4)C)C5=CC=C(C=C5)C(F)(F)F |
|---|---|
| IUPAC Name | 4-(azetidin-1-yl)-1-methyl-3-[1-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrazolo[3,4-d]pyrimidine |
| InChIKey | SHAVEYUXRBIMLA-UHFFFAOYSA-N |
| INCHI | 1S/C20H18F3N7/c1-28-17(12-4-6-13(7-5-12)20(21,22)23)14(10-26-28)16-15-18(29(2)27-16)24-11-25-19(15)30-8-3-9-30/h4-7,10-11H,3,8-9H2,1-2H3 |
| Isomeric SMILES | CN1C(=C(C=N1)C2=NN(C3=C2C(=NC=N3)N4CCC4)C)C5=CC=C(C=C5)C(F)(F)F |
| PubChem CID | 71488864 |
| Molecular Weight | 413.4 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Pyrazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrazoles |
| Alternative Parents | Trifluoromethylbenzenes Pyrazolo[3,4-d]pyrimidines Dialkylarylamines Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds Azetidines Azacyclic compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylpyrazole - Trifluoromethylbenzene - Pyrazolo[3,4-d]pyrimidine - Pyrazolopyrimidine - Dialkylarylamine - Aminopyrimidine - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyrimidine - Heteroaromatic compound - Azetidine - Azacycle - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Alkyl fluoride - Organic nitrogen compound - Amine - Alkyl halide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group. |
| External Descriptors | Not available |
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| Solubility | DMSO : 62.5 mg/mL (151.19 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 413.400 g/mol |
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 3 |
| Exact Mass | 413.158 Da |
| Monoisotopic Mass | 413.158 Da |
| Topological Polar Surface Area | 64.700 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 608.000 |
| 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 |
