CAS 1028486-06-7

Benzoic acid, 4-[[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-2-methoxy-, sodium salt (1:1)

Description:

Benzoic acid, 4-[[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-2-methoxy-, sodium salt (1:1), identified by CAS number 1028486-06-7, is a complex organic compound characterized by its unique structural features, which include a benzoic acid moiety and a pyrimido-benzazepine framework. This compound exhibits properties typical of both benzoic acids and sodium salts, such as solubility in water due to the ionic nature of the sodium salt form. Its molecular structure suggests potential biological activity, possibly as a pharmaceutical agent, given the presence of halogen and methoxy substituents that can influence its reactivity and interaction with biological targets. The presence of the sodium ion enhances its stability and solubility in aqueous environments, making it suitable for various applications in medicinal chemistry. Additionally, the compound may exhibit specific pharmacological properties, which would require further investigation through experimental studies to elucidate its mechanism of action and therapeutic potential.

Formula: C₂₇H₂₀ClFN₄O₄·Na

InChI: InChI=1S/C27H20ClFN4O4.Na/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=UDTGEKCUEBGDEV-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.[Na]

Synonyms:

• Benzoic acid, 4-[[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-2-methoxy-, sodium salt (1:1)
• Sodium 4-[[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-2-methoxybenzoate

Alisertib Sodium

CAS: 1028486-06-7

Alisertib Sodium

Purity: ≥98%

Molecular weight: 540.91g/mol

Ref: 54-BUP22236

Alisertib Sodium

CAS: 1028486-06-7

Alisertib Sodium (MLN 8237 Sodium)is a selective Aurora A inhibitor that causes G2/M phase arrest and chromosomal misalignment, leading to tumour cell apoptosis.

Formula: C₂₇H₁₉ClFN₄NaO₄

Purity: 99.77%

Color and Shape: Solid

Molecular weight: 540.91

Ref: TM-T38428