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4-(4-{[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl}-1-piperazinyl)-N-[(4-{[(2R)-1-(phenylsulfanyl)-4-(1-piperazinyl)-2-butanyl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamid e(CAS: 2143096-93-7)

4-(4-{[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl}-1-piperazinyl)-N-[(4-{[(2R)-1-(phenylsulfanyl)-4-(1-piperazinyl)-2-butanyl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamid
e
CAS Number

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Basic Information

Molecular Formula
C47H56ClF3N6O5S3
Molecular Weight
973.65 g/mol

Chemical Identifiers

SMILES
CC1(C)CCC(=C(C1)CN1CCN(CC1)C1C=CC(=CC=1)C(=O)NS(=O)(=O)C1C=CC(N[C@@H](CSC2C=CC=CC=2)CCN2CCNCC2)=C(C=1)S(=O)(=O)C(F)(F)F)C1C=CC(Cl)=CC=1
InChIKey
CRPNZDFOWRFBLZ-KXQOOQHDSA-N

Database References

FAQ

This compound is a crystalline solid with a molecular weight of approximately 1081.12 g/mol. It has low solubility in water but is more soluble in organic solvents such as DMSO and DMF. Chemically, it exhibits reactivity typical of amides and sulfonamides, with potential for hydrolysis and nucleophilic substitution reactions.
This compound is typically synthesized through multistep reactions involving the coupling of piperazine derivatives, phenylsulfanyl-substituted butyl amines, and cyclohexenone derivatives. The synthesis involves the use of catalysts and protecting groups to ensure high selectivity and yield, with typical yields ranging from 50-70%.
This compound is primarily used in the pharmaceutical industry for its potential as a drug candidate due to its complex structure and functional groups. It may also find applications in sensor technology and as a component in specialized chemical processes.
Handling this compound requires proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be handled in a well-ventilated area or a fume hood to avoid inhalation of any vapors. Spills should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and storage.

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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Liu Xiaomin

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mall@perfemiker.com

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13918667752

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