产品名称

英文名称：Alisertib (MLN8237)

同义词

Alisertib、1028486-01-2、MLN8237、MLN-8237、MLN 8237、MLN8237 (Alisertib)、4-((9-Chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[c]pyrimido[4,5-e]azepin-2-yl)amino)-2-methoxybenzoic acid、Alisertib [USAN]、4-[[9-Chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d]

产品性质

CAS编号：1028486-01-2

分子式：C27H20ClFN4O4

分子量：518.94

PubChem编号：24771867

英文别名：Alisertib|1028486-01-2|MLN8237|MLN-8237|MLN 8237|MLN8237 (Alisertib)|4-((9-Chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[c]pyrimido[4,5-e]azepin-2-yl)amino)-2-methoxybenzoic acid|Alisertib [USAN]|4-[[9-Chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d]

规格或纯度：≥98%

英文名称：Alisertib (MLN8237)

生化机理：Alisertib is a selective Aurora kinase A inhibitor with a median IC50 of 61 nM. Alisertib is a second-generation, orally bioavailable, highly selective small molecule inhibitor of the Aurora A kinase (serine/threonine protein kinase) with potential antineoplastic activity.

储存温度：-20°C储存

运输条件：超低温冰袋运输

备注：25mg卖完停产，不再备货

产品介绍：Alisertib (MLN8237)是Aurora A选择性抑制剂，IC50为1.2 nM，比对Aurora B的抑制性高200倍。Alisertib (MLN8237) is a selective Aurora A inhibitor with IC50 of 1.2 nM; has >200-fold higher selectivity for Aurora A than Aurora B.

ALogP：5

IUPAC Name：4-[[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-2-methoxybenzoic acid

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)

InChi Key：ZLHFILGSQDJULK-UHFFFAOYSA-N

Canonical SMILES：COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC

Isomeric SMILES：COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC

PubChem CID：24771867

ChEMBL Ligand：CHEMBL483158

Wikipedia：Alisertib

CAS Registry No.：1028486-01-2

RCSB PDB Ligand：A5B

溶解性：DMSO ≥42mg/mL Water <1.2mg/mL Ethanol <1.2mg/mL

产品包装