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Chemical structure of BRD7-IN-1

GC34505

BRD7-IN-1

Also known as 4-[3,5-dimethoxy-4-(piperazin-1-ylmethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one;dihydrochloride

BRD7-IN-1, a modified derivative of BI7273 (BRD7/9 inhibitor), binds to a VHL ligand via a linker to form a PROTAC VZ185 (VZ185 against BRD7/9 with DC50s of 4·5 and 1·8 nM, respectively)

ChemicalCAS2448414-48-8MW467.39FormulaC22H28Cl2N4O3
CAS number
2448414-48-8
Molecular weight
467.39
Formula
C22H28Cl2N4O3
Solubility
Soluble in DMSO
InChIKey
VUBFYDKFJHVJDQ-UHFFFAOYSA-N
Catalogue number
GC34505
Brand
GLPBIO
Computed properties PubChem CID 138377578 · TPSA 66.9 Ų · H-bond donors 3 · H-bond acceptors 6
TPSA
66.9 Ų
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
31

SMILES CN1C=C(C2=C(C1=O)C=NC=C2)C3=CC(=C(C(=C3)OC)CN4CCNCC4)OC.Cl.Cl

Computed descriptors from PubChem (CID 138377578), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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