1. chem960
  2. 1028486-01-2
Introduction
Aliertib (MLN 8237) is an orally active and selective Aurora A kinase inhibitor (ic50=1.2 nm), which binds to Aurora A kinase, resulting in mitotic spindle abnormalities \ mitotic accumulation Conclusion: aliertib (MLN 8237) can induce apoptosis and autophagy in leukemia cells by targeting the akt/mtor/ampk/p38 pathway. It has antitumor activity
Names and Identifiers
  • 4-((9-Chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[c]pyrimido[4,5-e]azepin-2-yl)amino)-2-methoxybenzoic acid
  • 4-[[9-Chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-2-methoxybenzoic acid
  • MLN-8237
  • MLN 8237
  • Alisertib (MLN8237)
  • 4-((9-Chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[c]pyrimido-[4,5-e]azepin-2-yl)amino)-2-methoxybenzoic acid
  • Afatinib (BIBW2992) Dimaleate
  • MLN8237 (Alisertib)
  • Alisertib
  • MLN-8237,MLN8237
  • MLN-823
  • Fluorocyclopentenylcytosine
  • alisertib (auroura A kinase inhibitor)
  • 4-((9-Chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[c]pyrimido-[4,5-e]azepin-2-yl)amino)-2-meth
  • 4-((9-Chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[c]pyrimido-[4,5-e]azepin-2-yl)amino)-2-methoxy
  • MLN8237
  • T66ES73M18
  • AK105048
  • 4-(9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[c]pyrimido[4,5-e]azepin-2-ylamino)-2-methoxybenzoic acid
  • 4-((9-Chloro-7-(2-fluoro-6-methoxyphen
  • 4-{[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]b
  • MDL:MFCD16621243
  • InChIKey:ZLHFILGSQDJULK-UHFFFAOYSA-N
  • 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)
  • SMILES:ClC1C([H])=C([H])C2C3C(=C([H])N=C(N([H])C4C([H])=C([H])C(C(=O)O[H])=C(C=4[H])OC([H])([H])[H])N=3)C([H])([H])N=C(C3C(=C([H])C([H])=C([H])C=3OC([H])([H])[H])F)C=2C=1[H]
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 518.9g/mol
  • Surface Charge: 0
  • XLogP3: 5
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 9
  • Rotatable Bond Count: 6
  • Monoisotopic Mass: 518.115711g/mol
  • Monoisotopic Mass: 518.115711g/mol
  • Topological Polar Surface Area: 106Ų
  • Heavy Atom Count: 37
  • Complexity: 836
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1

Experimental Properties

  • LogP: 5.25470
  • PSA: 105.93000
Security Information
  • Hazard Statement:H302-H315-H319-H335
  • Warning Statement:P261-P305+P351+P338
  • Storage Condition:Powder -20°C 3 years   4°C 2 years In solvent -80°C 6 months   -20°C 1 month
  • Signal Word:Warning
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