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Substance Name: Alisertib [USAN:INN]
RN: 1028486-01-2
UNII: T66ES73M18
InChIKey: ZLHFILGSQDJULK-UHFFFAOYSA-N

Note

  • An aurora kinase A inhibitor.

    NCI: A second-generation, orally bioavailable, highly selective small molecule inhibitor of the serine/threonine protein kinase Aurora A kinase with potential antineoplastic activity. Alisertib 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. Aurora A kinase localizes to the spindle poles and to spindle microtubules during mitosis, and is thought to regulate spindle assembly. Aberrant expression of Aurora kinases occurs in a wide variety of cancers, including colon and breast cancers. (NCI Thesaurus)

Molecular Formula

  • C27-H20-Cl-F-N4-O4

Molecular Weight

  • 518.93
 

Classification Code

  • Antineoplastic
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Names and Synonyms

Name of Substance

  • Alisertib [USAN:INN]
  • MLN 8237

Synonyms

  • Alisertib
  • MLN8237
  • UNII-T66ES73M18

Systematic Name

  • Benzoic acid, 4-((9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido(5,4-d)(2)benzazepin-2-yl)amino)-2-methoxy-

Registry Numbers

CAS Registry Number

  • 1028486-01-2

FDA UNII

  • T66ES73M18

Other Registry Number

  • 1186318-95-5

System Generated Number

  • 1028486012

Structure Descriptors

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)

InChIKey

ZLHFILGSQDJULK-UHFFFAOYSA-N

Smiles

C(=O)(c1c(cc(cc1)Nc1nc2c(CN=C(c3c2ccc(c3)Cl)c2c(cccc2OC)F)cn1)OC)O