Alisertib (MLN8237)

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Names

[ CAS No. ]:
1028486-01-2

[ Name ]:
Alisertib (MLN8237)

[Synonym ]:
4-{[9-Chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino}-2-methoxybenzoic acid
Alisertib
MLN 8237
4-{[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino}-2-methoxy-benzoic acid
MLN8237
Benzoic acid, 4-[[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-2-methoxy-

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
729.1±70.0 °C at 760 mmHg

[ Molecular Formula ]:
C27H20ClFN4O4

[ Molecular Weight ]:
518.924

[ Flash Point ]:
394.8±35.7 °C

[ Exact Mass ]:
518.115723

[ PSA ]:
105.93000

[ LogP ]:
5.56

[ Vapour Pressure ]:
0.0±2.5 mmHg at 25°C

[ Index of Refraction ]:
1.671

[ Storage condition ]:
-20°C

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • (1E,4E)-8-chloro-4-((dimethylamino)Methylene)-1-(2-fluoro-6-Methoxyphenyl)-3,4-dihydrobenzo[c]azepin-5-one
  • (5-Chloro-2-iodophenyl)(2,6-difluorophenyl)methanone
  • (2-Amino-5-chlorophenyl)(2,6-difluorophenyl)methanone
  • (5-CHLORO-2-IODOPHENYL)(2-FLUORO-6-METHOXYPHENYL)METHANONE
  • Methyl 4-amino-2-methoxybenzoate
  • TERT-BUTYL (3-(4-CHLORO-2-(2-FLUORO-6-METHOXYBENZOYL)PHENYL)PROP-2-YN-1-YL)CARBAMATE

DownStream

Related Compounds

  • Alisertib sodium
  • sodium,4-[[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-2-methoxybenzoate,hydrate
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-[4-(2-carbamoylphenoxy)but-2-yn-1-yl]-3-methoxy-1-methyl-1H-pyrazole-4-carboxamide
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 2-Amino-3-(isoquinolin-5-yl)propanoic acid