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E722-2648

CAT: 0804-HY-148918-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-148918-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
E722-2648 is a potent β-catenin/BCL9 complex inhibitor. E722-2648 specifically inhibits β-catenin/BCL9 complex formation and Wnt activity. E722-2648 disrupts cholesterol homeostasis via increased cholesterol esterification and lipid droplet accumulation. E722-2648 has antitumor activity[1].
CAS Number
931963-55-2
UNSPSC
12352005
Target
Wnt; β-catenin
Type
Reference compound
Related Pathways
Stem Cell/Wnt
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/e722-2648.html
Solubility
10 mM in DMSO
Smiles
O=C(C1=CC(SC2=C3CCCC2)=C3CS1)NCCCN4CCCC(C4)C
Molecular Formula
C21H30N2OS2
Molecular Weight
390.61
References & Citations
[1]Tanton H, et al. A novel β-catenin/BCL9 complex inhibitor blocks oncogenic Wnt signaling and disrupts cholesterol homeostasis in colorectal cancer. Sci Adv. 2022 Apr 29;8 (17) :eabm3108.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

N-[3-(3-Methyl-1-piperidinyl)propyl]-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-B][1]benzothiophene-3-carboxamide
CAS Number931963-55-2
PubChem CID20913345
IUPAC NameN-[3-(3-methylpiperidin-1-yl)propyl]-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiole-3-carboxamide
Molecular FormulaC21H30N2OS2
Molecular Weight390.6
XLogP4.6
Topological Polar Surface Area85.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity538
SMILES
CC1CCCN(C1)CCCNC(=O)C2=CC3=C(CS2)C4=C(S3)CCCC4
InChI
InChI=1S/C21H30N2OS2/c1-15-6-4-10-23(13-15)11-5-9-22-21(24)20-12-19-17(14-25-20)16-7-2-3-8-18(16)26-19/h12,15H,2-11,13-14H2,1H3,(H,22,24)
InChIKey
KTLYLDMTGYBKTC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[3-(3-Methyl-1-piperidinyl)propyl]-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-B][1]benzothiophene-3-carboxamide
CAS: 931963-55-2
CID: 20913345
Formula: C21H30N2OS2
MW: 390.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.6
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass390.17995593
Monoisotopic Mass390.17995593
Topological Polar Surface Area85.9 Ų
Heavy Atom Count26
Formal Charge0
Complexity538
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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