Novel Aryl Substituted sulfonyl piperazine derivatives: Tandem one-pot multi component synthesis via palladium catalyzed Suzuki-Miyaura cross coupling, structure studies and evaluation of anticancer activity DOI Creative Commons
A. S. Jeevan Chakravarthy,

A Shriraksha,

N.R. Sreenatha

и другие.

Research Square (Research Square), Год журнала: 2025, Номер unknown

Опубликована: Фев. 7, 2025

Abstract Novel N,N-substituted biphenyl sulfonyl piparazines were synthesized through a tandem one-pot reaction of N-substituted with p-bromosulfonyl chloride in DCM, followed by the palladium catalyzed cross coupling aryl boronic acids at room temperature and atmospheric pressure. The N-p-bromosulfonylpiparazine intermediate was isolated crystals obtained slow evaporation technique subjected to single crystal diffraction studies get structural insights. study revealed crystallization triclinic lattice P1 space group each asymmetric unit comprising two molecules A & B nonplanar geometry. piperazine ring molecule seen have puckering environment Chair conformation. Hirshfeld surfaces mapped on dnorm property two-dimensional fingerprint graphs provided types extent contribution intermolecular interaction present crystal. relevant H…H, H…C, H…O, H…Br be main forces leading intermediate. novel N-sulfonyl compounds Suzuki-Miyaura isolated, characterized insilico invitro anticancer investigations. Biological activity prediction in-silico ADMET analysis performed using Swiss ADME ProTox-II tools gave an insight into pharmacokinetic properties safety profiles molecules. Synthesized predicted high gastrointestinal absorption termed safe for organ toxicity parameters. Also, molecular docking conducted Autodock Vina Discovery Studio predict analyse binding affinity survivin protein human B-DNA. Compound 5a showed highest -8.2 kcal/mol survivin. Docking 5 DNA -9.6 kcal/mol. In addition, cytotoxic effect U87 (glioblastoma) OVCAR3 (ovarian carcinoma) cell lines, MTT assay demonstrated appreciable results, suggesting them as prospective candidates agents.

Язык: Английский

Novel Aryl Substituted sulfonyl piperazine derivatives: Tandem one-pot multi component synthesis via palladium catalyzed Suzuki-Miyaura cross coupling, structure studies and evaluation of anticancer activity DOI Creative Commons
A. S. Jeevan Chakravarthy,

A Shriraksha,

N.R. Sreenatha

и другие.

Research Square (Research Square), Год журнала: 2025, Номер unknown

Опубликована: Фев. 7, 2025

Abstract Novel N,N-substituted biphenyl sulfonyl piparazines were synthesized through a tandem one-pot reaction of N-substituted with p-bromosulfonyl chloride in DCM, followed by the palladium catalyzed cross coupling aryl boronic acids at room temperature and atmospheric pressure. The N-p-bromosulfonylpiparazine intermediate was isolated crystals obtained slow evaporation technique subjected to single crystal diffraction studies get structural insights. study revealed crystallization triclinic lattice P1 space group each asymmetric unit comprising two molecules A & B nonplanar geometry. piperazine ring molecule seen have puckering environment Chair conformation. Hirshfeld surfaces mapped on dnorm property two-dimensional fingerprint graphs provided types extent contribution intermolecular interaction present crystal. relevant H…H, H…C, H…O, H…Br be main forces leading intermediate. novel N-sulfonyl compounds Suzuki-Miyaura isolated, characterized insilico invitro anticancer investigations. Biological activity prediction in-silico ADMET analysis performed using Swiss ADME ProTox-II tools gave an insight into pharmacokinetic properties safety profiles molecules. Synthesized predicted high gastrointestinal absorption termed safe for organ toxicity parameters. Also, molecular docking conducted Autodock Vina Discovery Studio predict analyse binding affinity survivin protein human B-DNA. Compound 5a showed highest -8.2 kcal/mol survivin. Docking 5 DNA -9.6 kcal/mol. In addition, cytotoxic effect U87 (glioblastoma) OVCAR3 (ovarian carcinoma) cell lines, MTT assay demonstrated appreciable results, suggesting them as prospective candidates agents.

Язык: Английский

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