R112 3,3'-((5-氟-2,4-嘧啶二基)二亚胺)二苯酚
CAS 575474-82-7 MFCD75474827
化学结构图
SMILES: Oc1cccc(Nc2ncc(F)c(Nc3cccc(O)c3)n2)c1
化学属性
| Mol. Weight | 312.3 |
|---|---|
| Appearance | White to off white solid powder |
| Solubility | Soluble in DMSO, not soluble in water. |
别名和识别编码
| Chemical Name Translation | 3,3'-((5-氟-2,4-嘧啶二基)二亚胺)二苯酚 |
|---|---|
| Chemical Name | R112 |
| Formula | C16H13FN4O2 |
| Synonym | R112; R112; R 112. |
| IUPAC Name | 3,3'-((5-fluoropyrimidine-2,4-diyl)bis(azanediyl))diphenol |
| InChIKey | TVKGTSHBQZEFEE-UHFFFAOYSA-N |
| InChI | InChI=1S/C16H13FN4O2/c17-14-9-18-16(20-11-4-2-6-13(23)8-11)21-15(14)19-10-3-1-5-12(22)7-10/h1-9,22-23H,(H2,18,19,20,21) |
| Canonical SMILES | FC1=CN=C(NC2=CC(O)=CC=C2)N=C1NC3=CC(O)=CC=C3 |
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产品应用
- R112 is a Syk inhibitor. R112 inhibited degranulation induced by anti-IgE cross-linking in mast cells (tryptase release, effective concentration for 50% inhibition [EC(50)] = 353 nmol/L) or basophils (histamine release, EC(50) = 280 nmol/L), and by allergen (dust mite) in basophils (histamine release, EC(50) = 490 nmol/L). R112 also blocked leukotriene C4 production and all proinflammatory cytokines tested. Subsequent molecular characterization indicated that R112 is an ATP-competitive spleen tyrosine kinase (Syk) inhibitor (inhibitory constant [K(i)] = 96 nmol/L).
