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AZD7545

CAT: 0931-T2447-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T2447-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
252017-04-2
Target
Dehydrogenase
Related Pathways
Metabolism
Purity
0.9996
Bioactivity
AZD7545 is a potent PDHK inhibitor.
Smiles
CN(C)C(=O)c1ccc(cc1)S(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1
Molecular Formula
C19H18ClF3N2O5S
Molecular Weight
478.87
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Azd7545

AZD7545 is a sulfone that is benzene substituted by [4-(dimethylcarbamoyl)phenyl]sulfonyl, chloro and [(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino groups at positions 1, 3 and 4, respectively. It is a potent and non-ATP-competitive inhibitor of pyruvate dehydrogenase kinase 2 (PDHK2) with IC50 of 6.4 nM and exhibits glucose-lowering activity. Also inhibits PDHK1 at higher levels (IC50 = 36.8 nM). It has a role as an EC 2.7.11.2 - [pyruvate dehydrogenase (acetyl-transferring)] kinase inhibitor and a hypoglycemic agent. It is a secondary carboxamide, a tertiary carboxamide, a member of benzamides, a tertiary alcohol, a sulfone, an organofluorine compound and a member of monochlorobenzenes.

CAS Number252017-04-2
PubChem CID16741245
IUPAC Name4-[3-chloro-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]phenyl]sulfonyl-N,N-dimethylbenzamide
Molecular FormulaC19H18ClF3N2O5S
Molecular Weight478.9
XLogP2.7
Topological Polar Surface Area112
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity778
SMILES
C[C@@](C(=O)NC1=C(C=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(C)C)Cl)(C(F)(F)F)O
InChI
InChI=1S/C19H18ClF3N2O5S/c1-18(28,19(21,22)23)17(27)24-15-9-8-13(10-14(15)20)31(29,30)12-6-4-11(5-7-12)16(26)25(2)3/h4-10,28H,1-3H3,(H,24,27)/t18-/m1/s1
InChIKey
DTDZLJHKVNTQGZ-GOSISDBHSA-N
Chemical Structure
2D Structure
2D structure of Azd7545
CAS: 252017-04-2
CID: 16741245
Formula: C19H18ClF3N2O5S
MW: 478.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight478.9
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass478.0577050
Monoisotopic Mass478.0577050
Topological Polar Surface Area112 Ų
Heavy Atom Count31
Formal Charge0
Complexity778
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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