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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Adriforant hydrochloride (PF-3893787 hydrochloride) is a novel histamine H4 receptor antagonist binding affinity ( K i =2.4 nM) and is also a functional ( K i =1.56 nM) antagonist.
In Vitro
Adriforant is tested and observed binding K i =2.4 nM and functional K i =1.56 nM for H4R. Data from functional assays produce convergent projections of the free plasma efficacious concentration and Adriforant (Compound 13) is fast on/fast off on rhH4R. The in vitro IC 50 on human native isolated eosinophils assessing actin polymerisation is 1.16 nM and assuming need 10 times the IC 50 for >90% receptor occupancy (and therefore near complete inhibition of the response) suggested a concentration of 12 nM. The data in the whole blood GAFS assay demonstrates that the imetit induced shape change is completely blocked at a total blood concentration of 30 nM (which correcting for PPB and blood partitioning equates to approximately 10 nM free). For the purpose of dose projection and safety margin calculation, a Ceff/Cmin concentration of 10-15 nM is used. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:Ki: 2.4 nM (H4R bind), 1.56 nM (H4R func)
| Canonical Smiles | CNC1CCN(C1)C2=NC(=NC(=C2)NCC3CC3)N.Cl.Cl.Cl |
|---|---|
| IUPAC Name | 4-N-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine;trihydrochloride |
| InChIKey | ZAZAFXLCZSALFI-FYBBWCNBSA-N |
| INCHI | 1S/C13H22N6.3ClH/c1-15-10-4-5-19(8-10)12-6-11(17-13(14)18-12)16-7-9-2-3-9;;;/h6,9-10,15H,2-5,7-8H2,1H3,(H3,14,16,17,18);3*1H/t10-;;;/m1.../s1 |
| PubChem CID | 131801117 |
| Molecular Weight | 371.74 |
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View spec sheet →| Solubility | H2O : 100 mg/mL (269.01 mM; Need ultrasonic) DMSO : ≥ 83.33 mg/mL (224.16 mM) |
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