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Alisertib

Alisertib structure

CAS No:
1028486-01-2
Formula:
C27H20ClFN4O4
Chemical Name:
Alisertib
Synonyms:
Benzoic acid,4-[[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-2-methoxy-;4-[[9-Chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-2-methoxybenzoic acid;MLN 8237;Alisertib;1186318-95-5
Categories:
Biochemical Engineering > Inhibitors

Description

Off-White SolidAlisertib (MLN8237) is a selective Aurora A inhibitor with IC50 of 1.2 nM in a cell-free assay. It has >200-fold higher selectivity for Aurora A than Aurora B. Phase 3.

Alisertib Basic Attributes

Molecular Weight：

518.9235032

Exact Mass：

518.92

EC Number：

1592732-453-0

Characteristics

PSA：

106

XLogP3：

Density：

1.43±0.1 g/cm3(Predicted)

Boiling Point：

729.1±70.0 °C(Predicted)

Flash Point：

394.8±35.7 °C

Refractive Index：

1.671

Alisertib Use and Manufacturing

Methods of Manufacturing

4-{f9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5, 4-rf1[2lbenzazepin-2- ynamino)-2-methoxybenzoic acid (Formula II)[0156] Into a reactor was added 6 (3.81kg, 15.5mol), potassium carbonate (4.3kg, 31.1mol), 9 (5.27kg, 14.1mol) and methanol (63L). The suspension was warmed to 50 to 55 °C and stirred for a minimum of 24h until >96.0percent conversion was obtained by HPLC analysis. Methanol (10L) and water (37L) were added while maintaining the temperature between 50 and 55 °C. The pH of the mixture was adjusted to 3.0 to 4.0 using 7percent w/ w HC1 (prepared from 7.0kg of concentrated HQ and 24L of water) while maintaining the temperature between 50 and 55 °C. The suspension was cooled to 20 to 25 °C over a minimum of lh and stirred for at least 60min. The resulting suspension was filtered and washed with water (2 x 26.3L) at 50 to 55 °C and methanol (2 x 10L) at 20 to 25 °C. The wet cake was dried at 45 to 50 °C under vacuum to provide 5.85kg (80percent yield) of Formula (II). 3/4 NMR (300 MHz, DMSO-d

Uses

An Aurora kinase inhibitor, used to treat patients with advanced solid tumors.

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