Deltarasin trihydrochloride

• CAT Number: I001701
• CAS Number: 1440898-82-7
• Molecular Formula: C40H37N5O.3HCl
• Molecular Weight: 713.14
• Purity: ≥95%
• IUPAC Name: 1-benzyl-2-[4-[(2S)-2-(2-phenylbenzimidazol-1-yl)-2-piperidin-4-ylethoxy]phenyl]benzimidazole;trihydrochloride
• InChI: InChI=1S/C40H37N5O.3ClH/c1-3-11-29(12-4-1)27-44-36-17-9-7-15-34(36)42-39(44)32-19-21-33(22-20-32)46-28-38(30-23-25-41-26-24-30)45-37-18-10-8-16-35(37)43-40(45)31-13-5-2-6-14-31;;;/h1-22,30,38,41H,23-28H2;3*1H/t38-;;;/m1.../s1
• SMILES: C1CNCCC1[C@@H](COC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5)N6C7=CC=CC=C7N=C6C8=CC=CC=C8.Cl.Cl.Cl

Small molecule inhibitor of the KRAS–PDEδ interaction that impairs oncogenic KRAS signalling by altering its localization to endomembranes (in cell Kd value 41 nM for deltarasin binding to PDEδ). Deltarasin suppresses in vitro and in vivo MAPK signaling and proliferation of human pancreatic ductal adenocarcinoma (PDAC) cells that are dependent on oncogenic KRAS.

Reference

G. Zimmermann et al.Small molecule inhibition of the KRAS–PDEδ interaction impairs oncogenic KRAS signalling. Nature 2013, 497, 638-642.

 

B. Frett et al. Targeting the K-Ras/PDEδ Protein–Protein Interaction: The Solution for Ras-Driven Cancers or Just Another Therapeutic Mirage? ChemMedChem 2013, 8, 1620-1622.