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Chemical structure of TBOPP

GC38855

TBOPP

Also known as 1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one

TBOPP is a selective inhibitor of DOCK1 with an IC50 of 8·4 μM· TBOPP binds to the DOCK1 DHR-2 domain with high affinity (Kd of 7·1 μM), has anti-tumor activity for broader types of tumors

ChemicalCAS1996629-79-8MW490.49FormulaC24H21F3N2O4S
CAS number
1996629-79-8
Molecular weight
490.49
Formula
C24H21F3N2O4S
Solubility
DMSO： 125 mg/mL (254·85 mM)
InChIKey
ZMPDEBWNVHAKBB-UHFFFAOYSA-N
Catalogue number
GC38855
Brand
GLPBIO
Computed properties PubChem CID 122508151 · XLogP 3.7 · TPSA 83.1 Ų · H-bond donors 0
XLogP
3.7
TPSA
83.1 Ų
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
34

SMILES C1CCN(C1)S(=O)(=O)C2=CN(C(=O)C=C2)CC(=O)C3=CC=C(C=C3)C4=CC(=CC=C4)C(F)(F)F

Computed descriptors from PubChem (CID 122508151), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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