958712-85-1
Chemical Structure
SEN205A
- CAS No.: 958712-85-1
- Formula:C13H14ClN3O
- Molecular Weight:263.73
IUPAC Name: 3-(4-chlorophenyl)-5-(piperidin-3-yl)-1,2,4-oxadiazole
InChIKey: ROGHUOMPUVCGAA-UHFFFAOYSA-N
SMILES: ClC=1C=CC(=CC1)C2=NOC(=N2)C3CNCCC3
Biological Activity: SEN205A is a fragment compound that binds to the hydrophobic pocket of human S100B (Kd=0.5-1.0 mM), which is the key region for the interaction of S100B with TRTK-12 and p53, and SEN205A can be displaced from this site by TRTK-12. SEN205A exhibits excellent in vitro ADME properties, including high metabolic stability, chemical stability, and good solubility under physiological pH conditions. SEN205A can serve as a starting fragment for structure-based optimization to develop inhibitors targeting the S100B-p53 protein-protein interaction and investigate the pathogenesis of malignant melanoma[1].
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SEN205A | SEN205A is a fragment compound that binds to the hydrophobic pocket of human S100B (Kd=0.5-1.0 mM), which is the key region for the interaction of S100B with TRTK-12 and p53, and SEN205A can be displaced from this site by TRTK-12. SEN205A exhibits excellent in vitro ADME properties, including high metabolic stability, chemical stability, and good solubility under physiological pH conditions. SEN205A can serve as a starting fragment for structure-based optimization to develop inhibitors targeting the S100B-p53 protein-protein interaction and investigate the pathogenesis of malignant melanoma. | |||||||||||||||||||||
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Keywords
