3,4-Difluoro-2-((2-Fluoro-4-Iodophenyl)Amino)-N-(2-Hydroxyethoxy)-5-((3-Oxo-1,2-Oxazinan-2-Yl)Methyl)Benzamide 3,4-二氟-2-((2-氟-4-碘苯基)氨基)-N-(2-羟基乙氧基)-5-((3-氧代-1,2-噁嗪烷-2-基)甲基)苯甲酰胺
CAS 874101-00-5 MFCD74101005
化学结构图
SMILES: O=C(NOCCO)c1cc(CN2OCCCC2=O)c(F)c(F)c1Nc1ccc(I)cc1F
化学属性
| Mol. Formula | C20H19F3IN3O5 |
|---|---|
| Mol. Weight | 565.28 |
| Appearance | Solid powder |
| Solubility | Soluble in DMSO, not soluble in water. |
别名和识别编码
| Chemical Name | 3,4-Difluoro-2-((2-Fluoro-4-Iodophenyl)Amino)-N-(2-Hydroxyethoxy)-5-((3-Oxo-1,2-Oxazinan-2-Yl)Methyl)Benzamide |
|---|---|
| Chemical Name Translation | 3,4-二氟-2-((2-氟-4-碘苯基)氨基)-N-(2-羟基乙氧基)-5-((3-氧代-1,2-噁嗪烷-2-基)甲基)苯甲酰胺 |
| Chemicalbook ID | CB72552593 |
| Formula | C20H19F3IN3O5 |
| Synonym | RO4987655; RO-4987655; RO 4987655; CH4987655; CH-4987655; CH 4987655. |
| IUPAC Name | 3,4-difluoro-2-((2-fluoro-4-iodophenyl)amino)-N-(2-hydroxyethoxy)-5-((3-oxo-1,2-oxazinan-2-yl)methyl)benzamide |
| InChIKey | FIMYFEGKMOCQKT-UHFFFAOYSA-N |
| InChI | InChI=1S/C20H19F3IN3O5/c21-14-9-12(24)3-4-15(14)25-19-13(20(30)26-31-7-5-28)8-11(17(22)18(19)23)10-27-16(29)2-1-6-32-27/h3-4,8-9,25,28H,1-2,5-7,10H2,(H,26,30) |
| Canonical SMILES | O=C(NOCCO)C1=CC(CN2OCCCC2=O)=C(F)C(F)=C1NC3=CC=C(I)C=C3F |
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产品应用
- RO4987655, also known as CH4987655, is an orally active small molecule, targeting mitogen-activated protein kinase kinase 1 (MAP2K1 or MEK1), with potential antineoplastic activity. MEK inhibitor RO4987655 binds to and inhibits MEK, which may result in the inhibition of MEK-dependent cell signaling and the inhibition of tumor cell proliferation. MEK, a dual specificity threonine/tyrosine kinase, is a key component of the RAS/RAF/MEK/ERK signaling pathway that regulates cell growth; constitutive activation of this pathway has been implicated in many cancers.
