SI-2 hydrochloride

• CAT Number: I045899
• CAS Number: 1992052-49-9
• Molecular Formula: C15H16ClN5
• Molecular Weight: 301.77
• Purity: ≥95%
• Synonyms: 1-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine;hydrochloride
• InChI: InChI=1S/C15H15N5.ClH/c1-11(12-7-5-6-10-16-12)18-19-15-17-13-8-3-4-9-14(13)20(15)2;/h3-10H,1-2H3,(H,17,19);1H/b18-11+
• InChIKey: CDYJHORKRVKALB-NWBUNABESA-N
• SMILES: CC(=NNC1=NC2=CC=CC=C2N1C)C3=CC=CC=N3.Cl

SI-2 (EPH 116 hydrochloride) is a highly promising SRC-3 inhibitor (PPI), with IC50 values of 3-20 nM for breast cancer cell death. SI-2 (EPH 116 hydrochloride) has a much improved toxicity and pharmacokinetic profile, with acceptable oral availability[1].
SI-2 selectively reduce the transcriptional activities and the protein concentrations of SRC-3 in cells through direct physical interactions with SRC-3[1].?
SI-2 selectively induces breast cancer cell death with IC50 values in the low nanomolar range (3-20 nM), but not affect normal cell viability[1].?
SI-2 (100 nM) decreases cell motility, invasion, and tumor metastasis in MDAMB-468 cells[1].
SI-2 causes minimal acute cardiotoxicity based on a hERG channel blocking assay and an unappreciable chronic toxicity to major organs based on histological analyses[1].?
SI-2 is a drug-like molecule and meets all of the criteria of Lipinski’s rule[1].

Reference

[1]. Song X, et al. Development of potent small-molecule inhibitors to drug the undruggable steroid receptor coactivator-3. Proc Natl Acad Sci U S A. 2016 May 3;113(18):4970-5.
 [Content Brief]