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WRN inhibitor 7

CAT: 0013-GTR19234746-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19234746-01Size:10 mg
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Description
WRN inhibitor 7 (Compound h6) is a potent small molecule targeting Werner syndrome helicase, inhibiting its helicase and ATPase activities with IC50 values of 9.8 μM and 15.8 μM, respectively. It is a valuable research tool for studying DNA repair mechanisms and synthetic lethality in microsatellite instable (MSI) cancer models in vitro.
CAS Number
444780-45-4
Field of Research
Cell Biology, Epigenetics & Chromatin; Pharmacology & Drug Discovery, Molecular Biology
Smiles
C (=C1C (=O) N (CC (NC2=CC=C (C) C=C2) =O) C (=O) N1) C3=C (OCC4=CC (C (O) =O) =CC=C4) C=CC=C3
Molecular Formula
C27H23N3O6
Molecular Weight
485.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-[[2-[[1-[2-(4-Methylanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]methyl]benzoic acid
CAS Number444780-45-4
PubChem CID72182265
IUPAC Name3-[[2-[[1-[2-(4-methylanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]methyl]benzoic acid
Molecular FormulaC27H23N3O6
Molecular Weight485.5
XLogP3.5
Topological Polar Surface Area125
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count36
Formal Charge0
Complexity866
SMILES
CC1=CC=C(C=C1)NC(=O)CN2C(=O)C(=CC3=CC=CC=C3OCC4=CC(=CC=C4)C(=O)O)NC2=O
InChI
InChI=1S/C27H23N3O6/c1-17-9-11-21(12-10-17)28-24(31)15-30-25(32)22(29-27(30)35)14-19-6-2-3-8-23(19)36-16-18-5-4-7-20(13-18)26(33)34/h2-14H,15-16H2,1H3,(H,28,31)(H,29,35)(H,33,34)
InChIKey
GPAUNLLZYZCXCT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-[[2-[[1-[2-(4-Methylanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]methyl]benzoic acid
CAS: 444780-45-4
CID: 72182265
Formula: C27H23N3O6
MW: 485.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight485.5
XLogP33.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass485.15868546
Monoisotopic Mass485.15868546
Topological Polar Surface Area125 Ų
Heavy Atom Count36
Formal Charge0
Complexity866
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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