4-((9-Chloro-7-(2-Fluoro-6-Methoxyphenyl)-5H-Benzo[C]Pyrimido[4,5-E]Azepin-2-Yl)Amino)-2-Methoxybenzoic Acid 4-((9-氯-7-(2-氟-6-甲氧基苯基)-5H-苯并[c]嘧啶并[5,4-d]氮杂卓-2-基)氨基)-2-甲氧基苯甲酸
CAS 1028486-01-2 MFCD128486012
化学结构图
SMILES: COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O
化学属性
| Mol. Weight | 519 |
|---|---|
| Mol. Formula | C27H20ClFN4O4 |
| Appearance | Solid powder |
| Solubility | Soluble in DMSO, not in water |
别名和识别编码
| CAS Number | 1028486-01-2 |
|---|---|
| Chemical Name | 4-((9-Chloro-7-(2-Fluoro-6-Methoxyphenyl)-5H-Benzo[C]Pyrimido[4,5-E]Azepin-2-Yl)Amino)-2-Methoxybenzoic Acid |
| Synonym | 4-[[9-Chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-2-methoxy-benzoic Acid MLN 8237 MLN-8237 MLN8237 MLN8237; MLN-8237; MLN 8237; alisertib. alisertib |
| Chemical Name Translation | 4-((9-氯-7-(2-氟-6-甲氧基苯基)-5H-苯并[c]嘧啶并[5,4-d]氮杂卓-2-基)氨基)-2-甲氧基苯甲酸 |
| LabNetwork Molecule ID | LN00199751 |
| PubChem Substance ID | 24771867 |
| InChI | InChI=1S/C27H20ClFN4O4/c1-36-21-5-3-4-20(29)23(21)25-19-10-15(28)6-8-17(19)24-14(12-30-25)13-31-27(33-24)32-16-7-9-18(26(34)35)22(11-16)37-2/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33) |
| Formula | C27H20ClFN4O4 |
| IUPAC Name | 4-((9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[c]pyrimido[4,5-e]azepin-2-yl)amino)-2-methoxybenzoic acid |
| InChIKey | ZLHFILGSQDJULK-UHFFFAOYSA-N |
| MDL Number |
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分类
- Inhibitors
- Pharmaceuticals
- Intermediates & Fine Chemicals
产品应用
- Alisertib, also known as MLN8237, is a second-generation, orally bioavailable, highly selective small molecule inhibitor of the serine/threonine protein kinase Aurora A kinase with potential antineoplastic activity. Aurora kinase inhibitor MLN8237 binds to and inhibits Aurora A kinase, which may result in disruption of the assembly of the mitotic spindle apparatus, disruption of chromosome segregation, and inhibition of cell proliferation.
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