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HGC652

CAT: 1568-C18348-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1568-C18348-02Size:25 mg
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CAS Number
3055558-98-7
SKU
C18348-5mg
Target
Molecular Glues
Applications
Others
Smiles
CN (C (C1=CC=C (C2=C (SC) C=C (F) C=C2) C=C1S (=O) (C) =O) =O) CC3CCCCC3
Molecular Formula
C23H28FNO3S2
Additionnal Information
HGC652 functions as a molecular glue by targeting E3 ubiquitin ligase TRIM21. It facilitates the formation of a TRIM21-NUP98 ternary complex, leading to degradation of NUP155 and nuclear pore complex proteins, ultimately resulting in cell death. The compound shows inhibitory effects on the proliferation of various cancer cell lines, with activity dependent on TRIM21 expression levels.

Chemical Information

N-(Cyclohexylmethyl)-4'-fluoro-N-methyl-3-(methylsulfonyl)-2'-(methylthio)-[1,1'-biphenyl]-4-carboxamide
CAS Number3055558-98-7
PubChem CID172677422
IUPAC NameN-(cyclohexylmethyl)-4-(4-fluoro-2-methylsulfanylphenyl)-N-methyl-2-methylsulfonylbenzamide
Molecular FormulaC23H28FNO3S2
Molecular Weight449.6
XLogP5.2
Topological Polar Surface Area88.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity674
SMILES
CN(CC1CCCCC1)C(=O)C2=C(C=C(C=C2)C3=C(C=C(C=C3)F)SC)S(=O)(=O)C
InChI
InChI=1S/C23H28FNO3S2/c1-25(15-16-7-5-4-6-8-16)23(26)20-11-9-17(13-22(20)30(3,27)28)19-12-10-18(24)14-21(19)29-2/h9-14,16H,4-8,15H2,1-3H3
InChIKey
MEFAYSLODGHXPL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(Cyclohexylmethyl)-4'-fluoro-N-methyl-3-(methylsulfonyl)-2'-(methylthio)-[1,1'-biphenyl]-4-carboxamide
CAS: 3055558-98-7
CID: 172677422
Formula: C23H28FNO3S2
MW: 449.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight449.6
XLogP35.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass449.14946426
Monoisotopic Mass449.14946426
Topological Polar Surface Area88.1 Ų
Heavy Atom Count30
Formal Charge0
Complexity674
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
GTR19249994-01HGC652

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