Products for Research Use Only
RegisterLogin

BRD3731

CAT: 0804-HY-124607B-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-124607B-02Size:10 mM - 1 mL
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
BRD3731 is a selective GSK3β inhibitor, with IC50s of 15 nM and 215 nM for GSK3β and GSK3α, respectively. BRD3731 is potentail for the research of post-traumatic stress disorder (PTSD), psychiatric disorder, diabetes, and neurodegenerative disorders[1].
CAS Number
2056262-07-6
UNSPSC
12352005
Target
GSK-3
Type
Reference compound
Related Pathways
PI3K/Akt/mTOR; Stem Cell/Wnt
Applications
Neuroscience-Neuromodulation
Field of Research
Metabolic Disease; Neurological Disease
Assay Protocol
https://www.medchemexpress.com/s-brd3731.html
Purity
98.18
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
O=C1C2=C(N=C3C([C@]2(C)C4=CC=CC=C4)=C(CC(C)(C)C)NN3)CC(C)(C)C1
Molecular Formula
C24H31N3O
Molecular Weight
377.52
References & Citations
[1]Edward Scolnick, et al. Uses of paralog-selective inhibitors of gsk3 kinases. US20160375006A1.|[2]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) :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

CID 135567205
CAS Number2056262-07-6
PubChem CID135567205
IUPAC Name(4S)-3-(2,2-dimethylpropyl)-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one
Molecular FormulaC24H31N3O
Molecular Weight377.5
XLogP5.6
Topological Polar Surface Area57.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity668
SMILES
C[C@]1(C2=C(CC(CC2=O)(C)C)NC3=NNC(=C31)CC(C)(C)C)C4=CC=CC=C4
InChI
InChI=1S/C24H31N3O/c1-22(2,3)12-17-20-21(27-26-17)25-16-13-23(4,5)14-18(28)19(16)24(20,6)15-10-8-7-9-11-15/h7-11H,12-14H2,1-6H3,(H2,25,26,27)/t24-/m1/s1
InChIKey
YZRXTIGAQRIAEX-XMMPIXPASA-N
Chemical Structure
2D Structure
2D structure of CID 135567205
CAS: 2056262-07-6
CID: 135567205
Formula: C24H31N3O
MW: 377.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight377.5
XLogP35.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass377.246712621
Monoisotopic Mass377.246712621
Topological Polar Surface Area57.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity668
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

Related Products

CatalogName
HY-125197BRD5631

Alternative Products

CatalogName
BA8697-1BRD3731
T39457-01(R)-BRD3731

Popular Products