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5-Bromo-N~4~-[5-(dimethylphosphoryl)-6-quinoxalinyl]-N~2~-{2-methoxy-5-methyl-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl}-2,4-pyrimidinediamine(CAS: 2267329-76-8)

5-Bromo-N~4~-[5-(dimethylphosphoryl)-6-quinoxalinyl]-N~2~-{2-methoxy-5-methyl-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl}-2,4-pyrimidinediamine
CAS Number

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Basic Information

Molecular Formula
C32H41BrN9O2P
Molecular Weight
694.62 g/mol

Chemical Identifiers

SMILES
COC1=C(NC2=NC(Nc3ccc4nccnc4c3P(C)(C)=O)=C(Br)C=N2)C=C(C)C(=C1)N1CCC(CC1)N1CCN(C)CC1
InChIKey
ZYSKXRAGBGLELB-UHFFFAOYSA-N

Database References

FAQ

The compound is a crystalline solid with a high molecular weight. It has low solubility in water but good solubility in organic solvents like DMSO and DMF. Chemically, it is reactive towards nucleophiles and can undergo substitution reactions at the bromine and quinoxaline positions. The compound is stable under normal conditions but should be handled with care due to its reactivity.
The compound is synthesized via a multi-step process involving the protection of amino groups, formation of the quinoxaline ring, introduction of the bromine substituent, and coupling with the complex piperidinyl-phenyl group. Common catalysts include metal complexes and Lewis acids, with yields typically ranging from 50-70%. The reaction conditions are optimized for high selectivity and yield.
This compound is primarily used in the pharmaceutical industry for the development of new drugs, particularly those targeting specific protein-protein interactions. It also has applications in the sensor and semiconductor industries due to its unique chemical properties.
When handling this compound, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area, preferably under a fume hood, to minimize exposure. Spills should be cleaned up using appropriate absorbent materials, and the area should be thoroughly decontaminated. Refer to the Safety Data Sheet (SDS) for specific handling and disposal guidelines.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

Contact Information

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Manager Gu

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