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BRD0705

CAT: 0013-GTR19178090-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19178090-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BRD0705 is a potent, orally bioavailable small molecule inhibitor with significant selectivity for GSK3α over GSK3β. It is a valuable research tool for investigating the distinct roles of GSK3 paralogs in cellular signaling, proliferation, and in vivo models of disease.
CAS Number
2056261-41-5
Product Name Alternative
β-catenin, survival, GSK-3β (WT), GSK-3α, GSK3α, GSK-3, GSK3, Glycogen synthase kinase-3, Glycogen synthase kinase 3, leukemia, Inhibitor, oral, inhibit, kinase, myeloid, BRD 0705, BRD0705, BRD-0705, bioavailability, Acute
Field of Research
Signal Transduction, Stem Cell & Developmental Biology
Purity
99.01% (May vary between batches)
Solubility
DMSO:300 mg/mL (933.36 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:5 mg/mL (15.56 mM)
Smiles
CC[C@@]1 (C2=CNNC2=NC2=C1C (=O) CC (C) (C) C2) c1ccccc1
Molecular Formula
C20H23N3O
Molecular Weight
321.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one
CAS Number2056261-41-5
PubChem CID136980453
IUPAC Name(4S)-4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one
Molecular FormulaC20H23N3O
Molecular Weight321.4
XLogP4.2
Topological Polar Surface Area57.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity561
SMILES
CC[C@@]1(C2=C(NC3=C1C(=O)CC(C3)(C)C)NN=C2)C4=CC=CC=C4
InChI
InChI=1S/C20H23N3O/c1-4-20(13-8-6-5-7-9-13)14-12-21-23-18(14)22-15-10-19(2,3)11-16(24)17(15)20/h5-9,12H,4,10-11H2,1-3H3,(H2,21,22,23)/t20-/m0/s1
InChIKey
NCKLQXXBRWCYMA-FQEVSTJZSA-N
Chemical Structure
2D Structure
2D structure of (4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one
CAS: 2056261-41-5
CID: 136980453
Formula: C20H23N3O
MW: 321.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight321.4
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass321.184112366
Monoisotopic Mass321.184112366
Topological Polar Surface Area57.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity561
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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