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Chemical structure of Barbadin

GC38351

Barbadin

Also known as 3-amino-5-(4-benzylphenyl)thieno[2,3-d]pyrimidin-4-one

Barbadin is a novel and selective β-arrestin/β2-adaptin interaction inhibitor, has IC50 values of 19·1?μM for β-arrestin1 and 15·6?μM for β-arrestin2

ChemicalCAS356568-70-2MW333.41FormulaC19H15N3OS
CAS number
356568-70-2
Molecular weight
333.41
Formula
C19H15N3OS
Solubility
DMSO: 50 mg/mL (149·97 mM)
InChIKey
OCBXPCSXEQQADU-UHFFFAOYSA-N
Catalogue number
GC38351
Brand
GLPBIO
Computed properties PubChem CID 727640 · XLogP 3.7 · TPSA 86.9 Ų · H-bond donors 1
XLogP
3.7
TPSA
86.9 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
24

SMILES C1=CC=C(C=C1)CC2=CC=C(C=C2)C3=CSC4=C3C(=O)N(C=N4)N

Computed descriptors from PubChem (CID 727640), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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