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BRD0705

CAT: 0804-HY-116830-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-116830-02Size:10 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, 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) research[1].
CAS Number
2056261-41-5
Product Name Alternative
UK-116865
UNSPSC
12352005
Target
GSK-3
Type
Reference compound
Related Pathways
PI3K/Akt/mTOR; Stem Cell/Wnt
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/brd0705.html
Purity
99.86
Solubility
DMSO : 300 mg/mL (ultrasonic)
Smiles
O=C1C2=C(N=C3C([C@]2(CC)C4=CC=CC=C4)=CNN3)CC(C)(C)C1
Molecular Formula
C20H23N3O
Molecular Weight
321.42
References & Citations
[1]Wagner FF, et al. Exploiting an Asp-Glu "switch" in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia. Sci Transl Med. 2018 Mar 7;10 (431) . pii: eaam8460.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
GSK-3α; GSK-3β

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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