CAS 869363-13-3

4-{[9-chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino}benzoic acid

Description:

4-{[9-chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino}benzoic acid, with the CAS number 869363-13-3, is a complex organic compound characterized by its unique structural features, including a pyrimido[5,4-d][2]benzazepine core and multiple functional groups. This compound contains a benzoic acid moiety, which contributes to its acidic properties, and an amino group that may participate in hydrogen bonding and other interactions. The presence of chlorine and difluorophenyl substituents suggests potential for varied reactivity and biological activity, making it of interest in medicinal chemistry. Its molecular structure indicates potential for interactions with biological targets, possibly influencing pharmacological properties. The compound's solubility, stability, and reactivity would depend on its specific functional groups and the overall molecular conformation. As with many complex organic molecules, understanding its characteristics requires consideration of its synthesis, potential applications, and interactions in biological systems.

Formula: C₂₅H₁₅ClF₂N₄O₂

InChI: InChI=1/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32)

SMILES: c1cc(c(c(c1)F)C1=NCc2cnc(Nc3ccc(cc3)C(=O)O)nc2c2ccc(cc12)Cl)F

4-[[9-Chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]benzoic acid

CAS: 869363-13-3

Formula: C₂₅H₁₅ClF₂N₄O₂

Purity: 98%

Color and Shape: Solid

Molecular weight: 476.8620

Ref: IN-DA004L9B

MLN8054

CAS: 869363-13-3

MLN8054

Purity: ≥98%

Molecular weight: 476.86g/mol

Ref: 54-BUP05126

4-((9-Chloro-7-(2,6-Difluorophenyl)-5H-Benzo[c]Pyrimido[4,5-E]Azepin-2-Yl)Amino)Benzoic Acid

CAS: 869363-13-3

4-((9-Chloro-7-(2,6-Difluorophenyl)-5H-Benzo[c]Pyrimido[4,5-E]Azepin-2-Yl)Amino)Benzoic Acid

Purity: 98+%

Molecular weight: 476.86g/mol

Ref: 54-PC108709

MLN8054

CAS: 869363-13-3

MLN8054 is a potent and selective Aurora A kinase inhibitor with an IC50 of 4 nM.

Formula: C₂₅H₁₅ClF₂N₄O₂

Purity: 98.07% - 98.26%

Color and Shape: Solid

Molecular weight: 476.86

Ref: TM-T6315

MLN 8054

CAS: 869363-13-3

Aurora A kinase inhibitor

Formula: C₂₅H₁₅ClF₂N₄O₂

Purity: Min. 95%

Molecular weight: 476.86 g/mol

Ref: 3D-FM26029