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GW9662-d5

CAT: 0804-HY-16578S-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-16578S-01Size:1 mg
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Description
GW9662-d5 is the deuterium labeled GW9662. GW9662 is a potent and selective PPARγ antagonist with an IC50 of 3.3 nM, showing 10 and 1000-fold selectivity over PPARα and PPARδ, respectively[1][2].
CAS Number
2117730-84-2
UNSPSC
12352005
Target
Isotope-Labeled Compounds; PPAR
Type
Isotope-Labeled Compounds
Related Pathways
Cell Cycle/DNA Damage; Metabolic Enzyme/Protease; Others; Vitamin D Related/Nuclear Receptor
Field of Research
Cancer
Solubility
10 mM in DMSO
Smiles
ClC1=CC=C(C=C1C(NC2=C(C([2H])=C(C([2H])=C2[2H])[2H])[2H])=O)[N+]([O-])=O
Molecular Formula
C13H4D5ClN2O3
Molecular Weight
281.71
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216. |[2]Sato K, et al. PPARγ antagonist attenuates mouse immune-mediated bone marrow failure by inhibition of T cell function.Haematologica. 2016 Jan;101 (1) :57-67.|[3]Seargent JM, et al. GW9662, a potent antagonist of PPARgamma, inhibits growth of breast tumor cells and promotes the anticancer effects of the PPARgamma agonist BRL 49653, independently of PPARgamma activation. Br J Pharmacol. 2004 Dec;143 (8) :933-7.|[4]Collino M, et al. The selective PPARgamma antagonist GW9662 reverses the protection of LPS in a model of renal ischemia-reperfusion. Kidney Int. 2005 Aug;68 (2) :529-36.|[5]Leesnitzer LM, et al. Functional consequences of cysteine modification in the ligand binding sites of peroxisome proliferator activated receptors by GW9662. Biochemistry. 2002 May 28;41 (21) :6640-50.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

2-chloro-5-nitro-N-(2,3,4,5,6-pentadeuteriophenyl)benzamide
CAS Number2117730-84-2
PubChem CID53394428
IUPAC Name2-chloro-5-nitro-N-(2,3,4,5,6-pentadeuteriophenyl)benzamide
Molecular FormulaC13H9ClN2O3
Molecular Weight281.70
XLogP3.3
Topological Polar Surface Area74.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity339
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)[2H])[2H]
InChI
InChI=1S/C13H9ClN2O3/c14-12-7-6-10(16(18)19)8-11(12)13(17)15-9-4-2-1-3-5-9/h1-8H,(H,15,17)/i1D,2D,3D,4D,5D
InChIKey
DNTSIBUQMRRYIU-RALIUCGRSA-N
Chemical Structure
2D Structure
2D structure of 2-chloro-5-nitro-N-(2,3,4,5,6-pentadeuteriophenyl)benzamide
CAS: 2117730-84-2
CID: 53394428
Formula: C13H9ClN2O3
MW: 281.70
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight281.70
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass281.0615536
Monoisotopic Mass281.0615536
Topological Polar Surface Area74.9 Ų
Heavy Atom Count19
Formal Charge0
Complexity339
Isotope Atom Count5
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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