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CAS 1028486-01-2

:

4-{[9-Chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino}-2-methoxybenzoic acid

Description:
The chemical substance known as 4-{[9-Chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino}-2-methoxybenzoic acid, with the CAS number 1028486-01-2, is a complex organic compound characterized by its multi-ring structure and the presence of various functional groups. This compound features a pyrimido[5,4-d][2]benzazepine core, which is fused with a chloro and fluoro-substituted aromatic system, contributing to its potential biological activity. The methoxy groups enhance its lipophilicity, potentially influencing its pharmacokinetic properties. The presence of the carboxylic acid moiety suggests that it may exhibit acidic behavior, which could be relevant for its solubility and reactivity in biological systems. Overall, this compound may be of interest in medicinal chemistry, particularly in the development of pharmaceuticals targeting specific biological pathways, although detailed studies would be necessary to elucidate its full profile, including its mechanism of action, efficacy, and safety.
Formula:C27H20ClFN4O4
InChI: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)
InChI key:InChIKey=ZLHFILGSQDJULK-UHFFFAOYSA-N
SMILES:ClC=1C=C2C(=NCC=3C(C2=CC1)=NC(NC4=CC(OC)=C(C(O)=O)C=C4)=NC3)C5=C(OC)C=CC=C5F
Synonyms:
  • Alisertib
  • Benzoic acid, 4-[[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-2-methoxy-
  • Mln 8237
  • 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 (Contain 10% DMSO)
  • alisertib (auroura A kinase inhibitor)
  • Alisertib (MLN8237)
  • MLN8237 (Alisertib)
  • MLN-8237 4-[[9-Chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-2-methoxybenzoic acid
  • 4-((9-Chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[c]pyrimido-[4,5-e]azepin-2-yl)amino)-2-methoxy
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