Cbl-b-IN-2

• CAT Number: I043456
• CAS Number: 2503325-21-9
• Molecular Formula: C29H30F5N5O2
• Molecular Weight: 575.57
• Purity: ≥95%
• Synonyms: 6-[[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]methyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-4-(trifluoromethyl)-3H-isoindol-1-one
• InChI: InChI=1S/C29H30F5N5O2/c1-18-12-38(7-6-28(18,30)31)13-19-8-22-23(24(9-19)29(32,33)34)14-39(26(22)40)21-5-3-4-20(10-21)27(15-41-16-27)11-25-36-35-17-37(25)2/h3-5,8-10,17-18H,6-7,11-16H2,1-2H3/t18-/m1/s1
• InChIKey: YQALLLNHBDHXFZ-GOSISDBHSA-N
• SMILES: CC1CN(CCC1(F)F)CC2=CC3=C(CN(C3=O)C4=CC=CC(=C4)C5(COC5)CC6=NN=CN6C)C(=C2)C(F)(F)F

Cbl-b-IN-2 (Example 8) is an orally bioavailable compound, can inhibit the E3 enzyme Casitas B-lineage lymphoma proto-oncogene-b (Cbl-b) in the ubiquitin proteasome pathway. Cbl-b-IN-2 can be used to modulate the immune system and diseases amenable to immune system modulation. Cbl-b-IN-2 (Example 8) also may be administered to an individual with cancer, either alone or as part of a combination, with one or more of an immune checkpoint inhibitor, an anti-neoplastic agent, and radiation agent[1].
Cbl-b-IN-2 (Example 8) is a Cbl-b inhibitor with IC50 values range of 5.1-100 nM and ﹤1 nM in high and low concentration of Cbl-b, respectively[1].

Reference

[1]. Arthur T. Sands, et al. 3-substituted piperidine compounds for cbl-b inhibition, and use of a cbl-b inhibitor in combination with a cancer vaccine and/or oncolytic virus. Patent WO 2020210508A1.