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H3B-968

CAT: 0013-GTR19230803-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19230803-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
H3B-968 is a potent, ATP-competitive inhibitor of the Werner syndrome helicase (WRN), exhibiting an IC50 of ~10 nM against its helicase activity. This small molecule is a valuable research tool for investigating synthetic lethality in microsatellite unstable (MSI) cancer models, both in cellular and in vivo studies.
CAS Number
2912294-90-5
Field of Research
Cell Biology, Molecular Biology
Smiles
S (NCC (NC1=CC=C (CC) C=C1) =O) (=O) (=O) C=2N=C (C=C (C (F) (F) F) N2) C3=CC=C (OC (F) (F) F) C=C3
Molecular Formula
C22H18F6N4O4S
Molecular Weight
548.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(4-ethylphenyl)-2-[[4-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylamino]acetamide
CAS Number2912294-90-5
PubChem CID168476124
IUPAC NameN-(4-ethylphenyl)-2-[[4-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylamino]acetamide
Molecular FormulaC22H18F6N4O4S
Molecular Weight548.5
XLogP5
Topological Polar Surface Area119
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Heavy Atom Count37
Formal Charge0
Complexity851
SMILES
CCC1=CC=C(C=C1)NC(=O)CNS(=O)(=O)C2=NC(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)OC(F)(F)F
InChI
InChI=1S/C22H18F6N4O4S/c1-2-13-3-7-15(8-4-13)30-19(33)12-29-37(34,35)20-31-17(11-18(32-20)21(23,24)25)14-5-9-16(10-6-14)36-22(26,27)28/h3-11,29H,2,12H2,1H3,(H,30,33)
InChIKey
ZLHLWRSVYPZIFD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-ethylphenyl)-2-[[4-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylamino]acetamide
CAS: 2912294-90-5
CID: 168476124
Formula: C22H18F6N4O4S
MW: 548.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight548.5
XLogP35
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Exact Mass548.09529521
Monoisotopic Mass548.09529521
Topological Polar Surface Area119 Ų
Heavy Atom Count37
Formal Charge0
Complexity851
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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