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Chemical structure of Cbl-b-IN-3

GC68840

Cbl-b-IN-3

Also known as 2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-4-(trifluoromethyl)-3H-isoindol-1-one

Cbl-b-IN-3 (Compound 23) is an inhibitor of Casitas B-lineage lymphoma proto-oncogene b (Cbl-b), with an IC50 of

ChemicalCAS2573775-59-2MW537.62FormulaC30H34F3N5O
CAS number
2573775-59-2
Molecular weight
537.62
Formula
C30H34F3N5O
Solubility
DMSO : 100 mg/mL (186·00 mM; Need ultrasonic)
InChIKey
HUOLMBXGHHSYHC-QORSJFMISA-N
Catalogue number
GC68840
Brand
GLPBIO
Computed properties PubChem CID 155449671 · XLogP 5.1 · TPSA 54.3 Ų · H-bond donors 0
XLogP
5.1
TPSA
54.3 Ų
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
39

SMILES C[C@H]1CCCN(C1)CC2=CC3=C(CN(C3=O)C4=CC=CC(=C4)C5(CC(C5)C)C6=NN=CN6C)C(=C2)C(F)(F)F

Computed descriptors from PubChem (CID 155449671), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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