≥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-02413873 (PF-2413873) is a potent selective, fully competitive and orally active nonsteroidal progesterone receptor (PR) antagonist, with a K i of 2.6 nM. PF-02413873 can block progesterone binding and PR nuclear translocation, and inhibit endometrial growth in vivo
In Vitro
PF-02413873 shows potent PR antagonist activity with a derived K i of 9.7 nM in the T47D native functional assay. PF-02413873 (1 nM-10 μM) induces nuclear translocation only at high concentrations (>3 μM). MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
PF-02413873 (2.5 and 10 mg/kg; p.o. twice daily for 10 days) induces a statistically significant reduction in endometrial thickness in cynomolgus macaques . PF-02413873 (3 mg/kg; a single p.o.) exhibits t 1/2 (4.2 h), C max (162 ng/mL) and CL/F (41 mL/min/kg) . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Cynomolgus macaques (3.7-5.7 kg; 5-6 years) Dosage: 2.5, 10 mg/kg Administration: P.o. twice daily for 10 days Result: Reduced the endometrial thickness of 43 and 56% at the dose of 2.5 and 10 mg/kg, respectively. Animal Model: Cynomolgus macaques (3.7-5.7 kg; 5-6 years) Dosage: 3 mg/kg (Pharmacokinetic Analysis) Administration: A single p.o. Result: t 1/2 =4.2 h, C max =162 ng/mL, CL/F=41 mL/min/kg.
Form:Solid
IC50& Target:Ki: 2.6 nM (progesterone receptor)
| Canonical Smiles | CC1=CC(=CC(=C1C#N)C)OC2=C(N(N=C2C3CC3)CS(=O)(=O)C)C |
|---|---|
| IUPAC Name | 4-[3-cyclopropyl-5-methyl-1-(methylsulfonylmethyl)pyrazol-4-yl]oxy-2,6-dimethylbenzonitrile |
| InChIKey | QSFGZNVRVZHUGV-UHFFFAOYSA-N |
| INCHI | 1S/C18H21N3O3S/c1-11-7-15(8-12(2)16(11)9-19)24-18-13(3)21(10-25(4,22)23)20-17(18)14-5-6-14/h7-8,14H,5-6,10H2,1-4H3 |
| Isomeric SMILES | CC1=CC(=CC(=C1C#N)C)OC2=C(N(N=C2C3CC3)CS(=O)(=O)C)C |
| PubChem CID | 16662425 |
| Molecular Weight | 359.44 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Ethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diarylethers |
| Alternative Parents | m-Xylenes Phenoxy compounds Phenol ethers Benzonitriles Sulfones Pyrazoles Heteroaromatic compounds Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Diaryl ether - Phenoxy compound - Benzonitrile - M-xylene - Xylene - Phenol ether - Monocyclic benzene moiety - Benzenoid - Azole - Pyrazole - Sulfone - Sulfonyl - Heteroaromatic compound - Nitrile - Carbonitrile - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Cyanide - Organic oxide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups. |
| External Descriptors | Not available |
| Solubility | DMSO : 100 mg/mL (278.21 mM; ultrasonic and warming and heat to 60°C) |
|---|---|
| Molecular Weight | 359.400 g/mol |
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 359.13 Da |
| Monoisotopic Mass | 359.13 Da |
| Topological Polar Surface Area | 93.400 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 622.000 |
| 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 |
