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BRD0209

CAT: 0804-HY-117822-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-117822-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BRD0209 is a potent, selective and dual inhibitor of GSK3α/β inhibitor (GSK3α IC50 = 19 nM; GSK3β IC50 = 5 nM) . BRD0209 is also a reversible ATP-competitive inhibitor with fast-off kinetics (Ki = 4.2 nM, respectively) . BRD0209 is a tricyclic pyrazolotetrahydroquinolinone compound. BRD0209 has the potential for the research of mood disorder diseases[1].
CAS Number
1597439-87-6
UNSPSC
12352005
Hazard Statement
H302, H315, H319
Target
GSK-3
Type
Reference compound
Related Pathways
PI3K/Akt/mTOR; Stem Cell/Wnt
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/brd0209.html
Purity
99.63
Solubility
DMSO : 62.5 mg/mL (ultrasonic)
Smiles
O=C1C2=C(N=C3C([C@]2(C)C4=CC=CC=C4)=C(C5CC5)NN3)CC(C)(C)C1
Molecular Formula
C22H25N3O
Molecular Weight
347.45
Precautions
H302, H315, H319
References & Citations
[1]Wagner FF, et al. Inhibitors of Glycogen Synthase Kinase 3 with Exquisite Kinome-Wide Selectivity and Their Functional Effects. ACS Chem Biol. 2016;11 (7) :1952-1963.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(S)-3-Cyclopropyl-4,7,7-trimethyl-4-phenyl-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
CAS Number1597439-87-6
PubChem CID135567204
IUPAC Name(4S)-3-cyclopropyl-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one
Molecular FormulaC22H25N3O
Molecular Weight347.5
XLogP4.2
Topological Polar Surface Area57.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity644
SMILES
C[C@]1(C2=C(CC(CC2=O)(C)C)NC3=NNC(=C31)C4CC4)C5=CC=CC=C5
InChI
InChI=1S/C22H25N3O/c1-21(2)11-15-17(16(26)12-21)22(3,14-7-5-4-6-8-14)18-19(13-9-10-13)24-25-20(18)23-15/h4-8,13H,9-12H2,1-3H3,(H2,23,24,25)/t22-/m1/s1
InChIKey
YKPIWOGXCSQLFH-JOCHJYFZSA-N
Chemical Structure
2D Structure
2D structure of (S)-3-Cyclopropyl-4,7,7-trimethyl-4-phenyl-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
CAS: 1597439-87-6
CID: 135567204
Formula: C22H25N3O
MW: 347.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight347.5
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass347.199762429
Monoisotopic Mass347.199762429
Topological Polar Surface Area57.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity644
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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