ON-013100

• CAT Number: I008408
• CAS Number: 865783-95-5
• Molecular Formula: C19H22O7S
• Molecular Weight: 394.438
• Purity: ≥95%
• Synonyms: ON-013100; ON 013100; ON013100.;(E)-5-(((2,4,6-Trimethoxystyryl)sulfonyl)methyl)-2-methoxyphenol
• Solubility: Soluble in DMSO
• Storage: 0 - 4 °C for short term, or -20 °C for long term
• IUPAC Name: 2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenol
• InChI: InChI=1S/C19H22O7S/c1-23-14-10-18(25-3)15(19(11-14)26-4)7-8-27(21,22)12-13-5-6-17(24-2)16(20)9-13/h5-11,20H,12H2,1-4H3/b8-7+
• InChIKey: GHPUSRLWNSTQIK-BQYQJAHWSA-N
• SMILES: COC1=C(C=C(C=C1)CS(=O)(=O)C=CC2=C(C=C(C=C2OC)OC)OC)O

ON-013100 (Cat.No:I008408) is a small molecule inhibitor under investigation for its potential anticancer properties. It selectively targets the transcription factor nuclear factor kappa B (NF-κB), which plays a crucial role in tumor growth and inflammation. Preclinical studies suggest that ON-013100 exhibits promising anti-proliferative and pro-apoptotic effects, making it a candidate for further development as an anticancer agent.

Reference

1:J Pharm Biomed Anal. 2013 Mar 5;75:138-44. doi: 10.1016/j.jpba.2012.11.022. Epub 2012 Nov 23. Determination of the glucuronide metabolite of ON 013100, a benzylstyrylsulfone antineoplastic drug, in colon cancer cells using LC/MS/MS.Cho SY,Cosenza SC,Pallela V,Panda G,Reddy MV,Reddy EP,Roboz J, PMID: 23261806 DOI: 10.1016/j.jpba.2012.11.022 Abstract: ON 013100, (E)-2,4,6-trimethoxystyryl-3-hydroxy-4-methoxybenzyl sulfone, is a potent kinase inhibitor whose phosphate form is in Phase I clinical trials in lymphoma and acute lymphoid leukemia. The objectives were to: (a) investigate the possible presence of the glucuronide metabolite of the drug in two representative colon cancer cell lines, a drug resistant (colo-205) and a drug sensitive (colo-320); (b) quantify the glucuronide metabolite and the unchanged drug in the cells after treatment with ON 013100. The glucuronide was synthesized and a selective LC/MS/MS method was developed and validated for the characterization and quantification of the metabolite. The glucuronide metabolite (570.6 Da) was found in the drug-resistant cells upon a 1h incubation with ON 013100 (20 μg/ml). After treatment with the drug, the concentration of the metabolite gradually decreased from 0.84 μg/ml at 0 h through 0.21 μg/ml at 6h to below detection limit of 8.0 ng/ml at 9 h. No glucuronide metabolite was detected in the drug-sensitive cells. The concentrations of intact ON 013100 in the drug-resistant cells gradually decreased from 0.41 μg/ml (0 h) to 0.06 μg/ml (9 h). The corresponding concentrations of the intact drug in the drug-sensitive cells were from 2.88 μg/ml to 0.94 μg/ml.Copyright © 2012 Elsevier B.V. All rights reserved.