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TH5487

CAT: 0804-HY-125276-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-125276-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TH5487 is a potent 8-oxoguanine DNA glycosylase 1 (OGG1) inhibitor with an IC50 of 342 nM. TH5487 stops OGG1 from recognizing its DNA substrate, inhibits DNA repair and modifies OGG1 chromatin dynamics, which results in the inhibition of proinflammatory pathway genes[1].
CAS Number
2304947-71-3
UNSPSC
12352005
Target
DNA Glycosylase; DNA/RNA Synthesis
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; Epigenetics
Applications
Neuroscience-Neuromodulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/th5487.html
Purity
98.76
Solubility
DMSO : 25 mg/mL (ultrasonic)
Smiles
O=C(N1CCC(N(C2=CC=CC(Br)=C2N3)C3=O)CC1)NC4=CC=C(I)C=C4
Molecular Formula
C19H18BrIN4O2
Molecular Weight
541.18
References & Citations
[1]Visnes T, et al. Small-molecule inhibitor of OGG1 suppresses proinflammatory gene expression and inflammation. Science. 2018 Nov 16;362 (6416) :834-839.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

TH5487

selective inhibitor of 8-oxoguanine DNA glycosylase 1 (OGG1)

CAS Number2304947-71-3
PubChem CID137321164
IUPAC Name4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)-N-(4-iodophenyl)piperidine-1-carboxamide
Molecular FormulaC19H18BrIN4O2
Molecular Weight541.2
XLogP3.5
Topological Polar Surface Area64.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count27
Formal Charge0
Complexity564
SMILES
C1CN(CCC1N2C3=C(C(=CC=C3)Br)NC2=O)C(=O)NC4=CC=C(C=C4)I
InChI
InChI=1S/C19H18BrIN4O2/c20-15-2-1-3-16-17(15)23-19(27)25(16)14-8-10-24(11-9-14)18(26)22-13-6-4-12(21)5-7-13/h1-7,14H,8-11H2,(H,22,26)(H,23,27)
InChIKey
FZLKVWWPFOLPKF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of TH5487
CAS: 2304947-71-3
CID: 137321164
Formula: C19H18BrIN4O2
MW: 541.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight541.2
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass539.96579
Monoisotopic Mass539.96579
Topological Polar Surface Area64.7 Ų
Heavy Atom Count27
Formal Charge0
Complexity564
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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Alternative Products

CatalogName
BUP09023-01TH5487
A18537-100TH5487 100mg
A18537-10TH5487 10mg
A18537-5TH5487 5mg
A18537-1TH5487 1mg
A18537-500TH5487 500mg
A18537-50TH5487 50mg
A18537-2TH5487 2mg
A18537-25TH5487 25mg
A18537-10mM-DTH5487 10mM * 1mL in DMSO

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