N-{1-[3-(4-Ethoxyphenyl)-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl]ethyl}-2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[(pyridin-3-yl)methyl]acetamide
racNBI74330 · rac NBI 74330 · (±)-NBI 74330 · rac-NBI-74330 · N-[1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide · N-1-[(3-4(-Ethoxyphenyl)-3,4-dihydro-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-4-fluoro-N-(3-pyridinylmethyl)-3-(trifluoromethyl)benzeneacetamide · N-{1-[3-(4-ethoxyphenyl)-4-oxo-3H,4H-pyrido[2,3-d]pyrimidin-2-yl]ethyl}-2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[(pyridin-3-yl)methyl]acetamide · Benzeneacetamide, N-[1-[3-(4-ethoxyphenyl)-3,4-dihydro-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-4-fluoro-N-(3-pyridinylmethyl)-3-(trifluoromethyl)-
![Molekülstruktur von N-{1-[3-(4-Ethoxyphenyl)-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl]ethyl}-2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[(pyridin-3-yl)methyl]acetamide](/img/chemical/10167713.png)
Identifikatoren & physikalische Daten
| CAS No. | 473722-68-8 |
|---|---|
| Summenformel | C32H27F4N5O3 |
| Durchschnittliche Molmasse | 605,592 g/mol |
| Monoisotopische Masse | 605,2050026 g/mol |
| SMILES | CCOc1ccc(-n2c(C(C)N(Cc3cccnc3)C(=O)Cc3ccc(F)c(C(F)(F)F)c3)nc3ncccc3c2=O)cc1 |
| InChIKey | XMRGQUDUVGRCBS-UHFFFAOYSA-N |
| PubChem CID | 10167713 |
| ChEMBL | CHEMBL4173833 |
| DTXSID | DTXSID901356916 |
Chemische & physikalische Eigenschaften
| Siedepunkt | 752.5±70.0 °C(Predicted) |
|---|---|
| Dichte | 1.32±0.1 g/cm3(Predicted) |
| Löslichkeit | Soluble to 50 mM in DMSO |
| pKa (Säurekonstante) | 4+-.0.11(Predicted) |
Anwendungen & Verwendung
Verwenden
N-[1-[3-(4-Ethoxyphenyl)-3,4-dihydro-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-4-fluoro-N-(3-pyridinylmethyl)-3-(trifluoromethyl)-benzeneacetamide is a potent and selective CXCR3 antagonist. CXCR3 is a chemokine receptor involved in many inflammatory diseases including rheumatoid arthritis, multiple sclerosis and psoriasis.