Alisertib

Alisertib

Names
Preferred IUPAC name 4-{[9-Chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino}-2-methoxybenzoic acid
Identifiers
CAS Number	1028486-01-2
3D model (JSmol)	Interactive image
ChEMBL	ChEMBL483158
ChemSpider	24700147
IUPHAR/BPS	7790
KEGG	D10085
PubChem CID	24771867
UNII	T66ES73M18
CompTox Dashboard (EPA)	DTXSID30145539
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) Key: ZLHFILGSQDJULK-UHFFFAOYSA-N InChI=1/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) Key: ZLHFILGSQDJULK-UHFFFAOYAB
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
Properties
Chemical formula	C27H20ClFN4O4
Molar mass	518.93 g·mol−1
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Alisertib (MLN8237) is an orally available selective aurora A kinase inhibitor developed by Takeda. It was investigated as a treatment for relapsed or refractory peripheral T-cell lymphoma. Development was abandoned in 2015 due to poor clinical trial results.