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Chemical structure of Cbl-b-IN-2

GC68839

Cbl-b-IN-2

Also known as 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

Cbl-b-IN-2 (Example 8) is an orally effective bioactive compound that inhibits 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 that are susceptible to immune system regulation· Cbl-b-IN-2 (Example 8) can also be used alone or in combination with one or more immune checkpoint inhibitors, anti-tumor agents, and radiation for cancer treatment

ChemicalCAS2503325-21-9MW575.57FormulaC29H30F5N5O2
CAS number
2503325-21-9
Molecular weight
575.57
Formula
C29H30F5N5O2
Solubility
DMSO ： 140 mg/mL (243·24 mM; Need ultrasonic)
InChIKey
YQALLLNHBDHXFZ-GOSISDBHSA-N
Catalogue number
GC68839
Brand
GLPBIO
Computed properties PubChem CID 155190726 · XLogP 4 · TPSA 63.5 Ų · H-bond donors 0
XLogP
4
TPSA
63.5 Ų
H-bond donors
0
H-bond acceptors
10
Rotatable bonds
6
Heavy atoms
41

SMILES C[C@@H]1CN(CCC1(F)F)CC2=CC3=C(CN(C3=O)C4=CC=CC(=C4)C5(COC5)CC6=NN=CN6C)C(=C2)C(F)(F)F

Computed descriptors from PubChem (CID 155190726), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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