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Chemical structure of FUBP1-IN-1

GC36087

FUBP1-IN-1

Also known as 5-(3,4-dimethoxyphenyl)-2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

FUBP1-IN-1 is a potent FUSE binding protein 1 (FUBP1) inhibitor which interferes with the binding of FUBP1 to its single stranded target DNA FUSE sequence , with an IC50 value of 11·0 μM

ChemicalCAS883003-62-1MW405.39FormulaC19H14F3N3O2S
CAS number
883003-62-1
Molecular weight
405.39
Formula
C19H14F3N3O2S
Solubility
DMSO： 16·67 mg/mL (41·12 mM)
InChIKey
CLFOYJSEPPNFQZ-UHFFFAOYSA-N
Catalogue number
GC36087
Brand
GLPBIO
Computed properties PubChem CID 2823337 · XLogP 4.2 · TPSA 76.9 Ų · H-bond donors 0
XLogP
4.2
TPSA
76.9 Ų
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
28

SMILES COC1=C(C=C(C=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C4=CC=CS4)OC

Computed descriptors from PubChem (CID 2823337), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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