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Chemical structure of (Rac)-BRD0705

GC39058

(Rac)-BRD0705

Also known as 4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one

(Rac)-BRD0705 is a less active racemate of BRD0705· BRD0705 is a potent, paralog selective and orally active GSK3α inhibitor with an IC50 of 66 nM and a Kd of 4·8 μM· BRD0705 displays increased selectivity for GSK3α (8-fold) versus GSK3β (IC50 of 515 nM)· BRD0705 can be used for acute myeloid leukemia (AML)

ChemicalCAS1597440-03-3MW321.42FormulaC20H23N3O
CAS number
1597440-03-3
Molecular weight
321.42
Formula
C20H23N3O
Solubility
DMSO： 250 mg/mL (777·80 mM)
InChIKey
NCKLQXXBRWCYMA-UHFFFAOYSA-N
Catalogue number
GC39058
Brand
GLPBIO
Computed properties PubChem CID 136980454 · XLogP 4.2 · TPSA 57.8 Ų · H-bond donors 2
XLogP
4.2
TPSA
57.8 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
24

SMILES CCC1(C2=C(NC3=C1C(=O)CC(C3)(C)C)NN=C2)C4=CC=CC=C4

Computed descriptors from PubChem (CID 136980454), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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