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WDR5-MYC-IN-2

CAT: 0804-HY-174255Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-174255Size:1 Each
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Description
WDR5-MYC-IN-2 is an inhibitor of WDR5-MYC protein-protein interaction (PPI) with IC50 of 0.59 μM. WDR5-MYC-IN-2 can be studied in research for MYC-driven cancer and development of other effective WDR5-MYC PPI inhibitors[1].
CAS Number
3062125-47-4
UNSPSC
12352005
Target
C-Myc; WDR5
Related Pathways
Apoptosis; Epigenetics
Field of Research
Cancer
Smiles
BrC1=CC(S(=O)(NC2=CC(C3=CN(C)N=C3)=C(NC(C45CCCC5)=O)C4=C2)=O)=C(O)C(Cl)=C1
Molecular Formula
C22H20BrClN4O4S
Molecular Weight
551.84
References & Citations
[1]Sun, W., et al., (2025) . Discovery of Novel Inhibitors for WD Repeat-Containing Protein 5 (WDR5) -MYC Protein-Protein Interaction. Chemical biology & drug design, 105 (5), e70129.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

5-bromo-3-chloro-2-hydroxy-N-[7-(1-methylpyrazol-4-yl)-2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl]benzenesulfonamide
CAS Number3062125-47-4
PubChem CID178203317
IUPAC Name5-bromo-3-chloro-2-hydroxy-N-[7-(1-methylpyrazol-4-yl)-2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl]benzenesulfonamide
Molecular FormulaC22H20BrClN4O4S
Molecular Weight551.8
XLogP4.2
Topological Polar Surface Area122
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count33
Formal Charge0
Complexity867
SMILES
CN1C=C(C=N1)C2=C3C(=CC(=C2)NS(=O)(=O)C4=C(C(=CC(=C4)Br)Cl)O)C5(CCCC5)C(=O)N3
InChI
InChI=1S/C22H20BrClN4O4S/c1-28-11-12(10-25-28)15-8-14(9-16-19(15)26-21(30)22(16)4-2-3-5-22)27-33(31,32)18-7-13(23)6-17(24)20(18)29/h6-11,27,29H,2-5H2,1H3,(H,26,30)
InChIKey
BLHHZMYVEKCWBI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-bromo-3-chloro-2-hydroxy-N-[7-(1-methylpyrazol-4-yl)-2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl]benzenesulfonamide
CAS: 3062125-47-4
CID: 178203317
Formula: C22H20BrClN4O4S
MW: 551.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight551.8
XLogP34.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass550.00772
Monoisotopic Mass550.00772
Topological Polar Surface Area122 Ų
Heavy Atom Count33
Formal Charge0
Complexity867
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