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TTT20171

CAT: 0931-T202981-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T202981-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2110408-47-2
Bioactivity
TTT20171 is an SDHC inhibitor that demonstrates nanomolar-level inhibition of CII; however, it shows limited efficacy within cellular environments. In cell assays, the most responsive cells, 22Rv1 prostate cancer cells, exhibit an IC50 of 5.4 μM, which significantly exceeds both the suggested usage concentration of 2 μM and the chemical probe quality standard of 1 μM.
Smiles
O=C1NC(OC)=C(OC)C(O)=C1C(=O)CCCCCCCCCCCC
Molecular Formula
C20H33NO5
Molecular Weight
367.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-hydroxy-5,6-dimethoxy-3-tridecanoyl-1H-pyridin-2-one
CAS Number2110408-47-2
PubChem CID129009723
IUPAC Name4-hydroxy-5,6-dimethoxy-3-tridecanoyl-1H-pyridin-2-one
Molecular FormulaC20H33NO5
Molecular Weight367.5
XLogP5.6
Topological Polar Surface Area84.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count14
Heavy Atom Count26
Formal Charge0
Complexity536
SMILES
CCCCCCCCCCCCC(=O)C1=C(C(=C(NC1=O)OC)OC)O
InChI
InChI=1S/C20H33NO5/c1-4-5-6-7-8-9-10-11-12-13-14-15(22)16-17(23)18(25-2)20(26-3)21-19(16)24/h4-14H2,1-3H3,(H2,21,23,24)
InChIKey
CZKPAGLXQOQNEI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-hydroxy-5,6-dimethoxy-3-tridecanoyl-1H-pyridin-2-one
CAS: 2110408-47-2
CID: 129009723
Formula: C20H33NO5
MW: 367.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight367.5
XLogP35.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count14
Exact Mass367.23587315
Monoisotopic Mass367.23587315
Topological Polar Surface Area84.9 Ų
Heavy Atom Count26
Formal Charge0
Complexity536
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
GTR19242523-01TTT20171

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