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WRN inhibitor 20

CAT: 0013-GTR19280947-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19280947-01Size:50 mg
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Description
WRN inhibitor 20 (Compound 14c) is a WRN degrader demonstrating significant degradation activity in various cells, including HCT-116 (DC50 = 1.7 μM), SW-48 (DC50 = 3.0 μM), and SW-480 (DC50 = 5.9 μM) . This compound shows strong antiproliferative effects, promotes apoptosis, inhibits migration, and induces DNA damage in MSI-H cells, making it a valuable tool for cancer research.
CAS Number
3095277-20-3
Smiles
O=C (NC1=CC=C (C=C1) C) CNS (=O) (=O) C2=NC (=CC (=N2) C (F) (F) F) C=3C=CC (OCCCCCNC (=O) CC45CC6CC (CC (C6) C4) C5) =CC3
Molecular Formula
C37H44F3N5O5S
Molecular Weight
727.84
Notes
For research use only.

Chemical Information

2-(1-adamantyl)-N-[5-[4-[2-[[2-(4-methylanilino)-2-oxoethyl]sulfamoyl]-6-(trifluoromethyl)pyrimidin-4-yl]phenoxy]pentyl]acetamide
CAS Number3095277-20-3
PubChem CID178421495
IUPAC Name2-(1-adamantyl)-N-[5-[4-[2-[[2-(4-methylanilino)-2-oxoethyl]sulfamoyl]-6-(trifluoromethyl)pyrimidin-4-yl]phenoxy]pentyl]acetamide
Molecular FormulaC37H44F3N5O5S
Molecular Weight727.8
XLogP7.1
Topological Polar Surface Area148
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count15
Heavy Atom Count51
Formal Charge0
Complexity1240
SMILES
CC1=CC=C(C=C1)NC(=O)CNS(=O)(=O)C2=NC(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)OCCCCCNC(=O)CC45CC6CC(C4)CC(C6)C5
InChI
InChI=1S/C37H44F3N5O5S/c1-24-5-9-29(10-6-24)43-34(47)23-42-51(48,49)35-44-31(18-32(45-35)37(38,39)40)28-7-11-30(12-8-28)50-14-4-2-3-13-41-33(46)22-36-19-25-15-26(20-36)17-27(16-25)21-36/h5-12,18,25-27,42H,2-4,13-17,19-23H2,1H3,(H,41,46)(H,43,47)
InChIKey
AUAWJFOFPSNGDA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(1-adamantyl)-N-[5-[4-[2-[[2-(4-methylanilino)-2-oxoethyl]sulfamoyl]-6-(trifluoromethyl)pyrimidin-4-yl]phenoxy]pentyl]acetamide
CAS: 3095277-20-3
CID: 178421495
Formula: C37H44F3N5O5S
MW: 727.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight727.8
XLogP37.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count15
Exact Mass727.30152518
Monoisotopic Mass727.30152518
Topological Polar Surface Area148 Ų
Heavy Atom Count51
Formal Charge0
Complexity1240
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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