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ARUK3001185

CAT: 0804-HY-147519-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-147519-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ARUK3001185 is a potent, selective, orally active and brain-penetrant inhibitor of Notum (IC50 = 6.7 nM) . ARUK3001185 can restore Wnt signaling in the presence of Notum in vitro. ARUK3001185 is selective against serine hydrolases, kinases, and drug targets. ARUK3001185 can be used to research the role of Notum plays in diseases[1].
CAS Number
2411969-39-4
UNSPSC
12352005
Target
Wnt
Type
Reference compound
Related Pathways
Stem Cell/Wnt
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/aruk3001185.html
Concentration
10mM
Purity
99.28
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
FC(F)(C1=C(Cl)C=CC(N2C=CN=N2)=C1Cl)F
Molecular Formula
C9H4Cl2F3N3
Molecular Weight
282.05
References & Citations
[1]Willis NJ, et al. Design of a Potent, Selective, and Brain-Penetrant Inhibitor of Wnt-Deactivating Enzyme Notum by Optimization of a Crystallographic Fragment Hit. J Med Chem. 2022 May 26;65 (10) :7212-7230.
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

1-[2,4-Dichloro-3-(trifluoromethyl)phenyl]triazole
CAS Number2411969-39-4
PubChem CID146438044
IUPAC Name1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole
Molecular FormulaC9H4Cl2F3N3
Molecular Weight282.05
XLogP3.5
Topological Polar Surface Area30.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count17
Formal Charge0
Complexity277
SMILES
C1=CC(=C(C(=C1N2C=CN=N2)Cl)C(F)(F)F)Cl
InChI
InChI=1S/C9H4Cl2F3N3/c10-5-1-2-6(17-4-3-15-16-17)8(11)7(5)9(12,13)14/h1-4H
InChIKey
XVFXHCLMGYJAQI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[2,4-Dichloro-3-(trifluoromethyl)phenyl]triazole
CAS: 2411969-39-4
CID: 146438044
Formula: C9H4Cl2F3N3
MW: 282.05
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight282.05
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass280.9734370
Monoisotopic Mass280.9734370
Topological Polar Surface Area30.7 Ų
Heavy Atom Count17
Formal Charge0
Complexity277
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

Alternative Products

CatalogName
BA9104-5.1ARUK3001185

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