Neflamapimod 5-(2,6-二氯苯基)-2-(2,4-二氟苯基)磺胺基嘧啶[1,6-b]哒嗪-6-酮
CAS 209410-46-8 MFCD09834070
化学结构图
SMILES: O=c1ncn2nc(Sc3ccc(F)cc3F)ccc2c1-c1c(Cl)cccc1Cl
化学属性
| Mol. Formula | C19H9Cl2F2N3OS |
|---|---|
| Mol. Weight | 436.26 |
| Appearance | Yellow solid powder |
| Solubility | Soluble in DMSO, not in water |
别名和识别编码
| Chemical Name | Neflamapimod |
|---|---|
| CAS Number | 209410-46-8 |
| Synonym | 5-(2,6-Dichlorophenyl)-2-[(2,4-difluorophenyl)thio]-6H-pyrimido[1,6-b]pyridazin-6-one VX-745; VX 745; VX745; VRT-031745, VRT 031745; VRT031745; VD-31745; VD 31745; VD31745; Neflamapimod. |
| Formula | C19H9Cl2F2N3OS |
| IUPAC Name | 5-(2,6-Dichlorophenyl)-2-(2,4-difluorophenylsulfanyl)-6H-pyrimido[3,4-b]pyridazin-6-one |
| InChIKey | VEPKQEUBKLEPRA-UHFFFAOYSA-N |
| InChI | InChI=1S/C19H9Cl2F2N3OS/c20-11-2-1-3-12(21)17(11)18-14-5-7-16(25-26(14)9-24-19(18)27)28-15-6-4-10(22)8-13(15)23/h1-9H |
| Canonical SMILES | O=C1C(C2=C(Cl)C=CC=C2Cl)=C3C=CC(SC4=CC=C(F)C=C4F)=NN3C=N1 |
| Chemical Name Translation | 5-(2,6-二氯苯基)-2-(2,4-二氟苯基)磺胺基嘧啶[1,6-b]哒嗪-6-酮 |
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分类
- Aromatics
- Heterocycles
- Inhibitors
- Pharmaceuticals
- Intermediates & Fine Chemicals
- Sulfur & Selenium Compounds
产品应用
- Neflamapimod, also known as VX-745, VRT-031745 and VD-31745, is highly potent and selective p38α inhibitor (IC50 = 10 nM). VX-745 blocks TNFα production in LPS-stimulated HWB in vitro (IC50 = 177 nM). VX-745 displays excellent enzyme activity and selectivity, has a favorable pharmacokinetic profile, and demonstrates good in vivo activity in models of inflammation.
相关文献及参考
- Haddad, J.J.: Curr. Opin. Invest. Drugs, 2, 1070 (2001); Duffy, J.P. et al.: ACS Med. Chem. Lett., 2, 758 (2011); Bagley, M.C. et al.: Pharmaceuticals, 3, 1842 (2010);
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