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-Bromo-1,2-thiazol-5-yl)methyl][(4-fluorophenyl)methyl]amine
  • 3-[2-(4-Bromophenyl)ethoxy]-3-methylazetidine
  • 4-(3-Bromo-5-methoxypyridin-4-yl)-2-methylbutan-2-amine
  • 5-[(3-Amino-1-methyl-butyl)amino]-2-(2,6-dioxo-3-piperidyl)isoindoline-1,3-dione
  • 5-{[(2E)-4-aminobut-2-en-1-yl]amino}-2-(2,6-dioxopiperidin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione
  • 5-[5-Aminopentyl(methyl)amino]-2-(2,6-dioxo-3-piperidyl)isoindoline-1,3-dione
  • 3-[6-amino-4-(difluoromethyl)-1-oxo-2,3-dihydro-1H-isoindol-2-yl]azepane-2,7-dione
  • 1-(1-Methoxy-3,3-dimethylcyclopentyl)methanamine hydrochloride
  • 4-Amino-7-bromo-1,2,3,4-tetrahydronaphthalen-1-one hydrochloride
  • 1-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}-3-oxocyclobutane-1-carbonitrile
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