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CQ211

CAT: 0804-HY-147655-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-147655-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CQ211 is a potent and selective RIOK2 inhibitor with a Kd of 6.1 nM. CQ211 exhibits potent proliferation inhibition activity against multiple cancer cell lines[1].
CAS Number
2648986-65-4
UNSPSC
12352005
Target
Ser/Thr Kinase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/cq211.html
Purity
99.58
Solubility
DMSO : 12.5 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C1C2=C(C3=CC(C4=CC=C(N=C4)OC)=CC=C3N1)N(N=N2)C5=CC=C(C(C(F)(F)F)=C5)N6CCNCC6
Molecular Formula
C26H22F3N7O2
Molecular Weight
521.49
References & Citations
[1]Ouyang Y, et al. Discovery of 8- (6-Methoxypyridin-3-yl) -1- (4- (piperazin-1-yl) -3- (trifluoromethyl) phenyl) -1,5-dihydro-4H-[1,2,3]triazolo[4,5-c]quinolin-4-one (CQ211) as a Highly Potent and Selective RIOK2 Inhibitor. J Med Chem. 2022 Jun 9;65 (11) :7833-7842.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

8-(6-Methoxypyridin-3-yl)-1-(4-(piperazin-1-yl)-3-(trifluoromethyl)phenyl)-1,5-dihydro-4H-[1,2,3]triazolo[4,5-c]quinolin-4-one
CAS Number2648986-65-4
PubChem CID163408925
IUPAC Name8-(6-methoxy-3-pyridinyl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-5H-triazolo[4,5-c]quinolin-4-one
Molecular FormulaC26H22F3N7O2
Molecular Weight521.5
XLogP3.5
Topological Polar Surface Area97.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count38
Formal Charge0
Complexity844
SMILES
COC1=NC=C(C=C1)C2=CC3=C(C=C2)NC(=O)C4=C3N(N=N4)C5=CC(=C(C=C5)N6CCNCC6)C(F)(F)F
InChI
InChI=1S/C26H22F3N7O2/c1-38-22-7-3-16(14-31-22)15-2-5-20-18(12-15)24-23(25(37)32-20)33-34-36(24)17-4-6-21(19(13-17)26(27,28)29)35-10-8-30-9-11-35/h2-7,12-14,30H,8-11H2,1H3,(H,32,37)
InChIKey
RGHLRMNPUGUZEY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-(6-Methoxypyridin-3-yl)-1-(4-(piperazin-1-yl)-3-(trifluoromethyl)phenyl)-1,5-dihydro-4H-[1,2,3]triazolo[4,5-c]quinolin-4-one
CAS: 2648986-65-4
CID: 163408925
Formula: C26H22F3N7O2
MW: 521.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight521.5
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass521.17870746
Monoisotopic Mass521.17870746
Topological Polar Surface Area97.2 Ų
Heavy Atom Count38
Formal Charge0
Complexity844
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
T63642-01CQ211

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