Products for Research Use Only
RegisterLogin

PPARγ modulator-2

CAT: 0804-HY-170874Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-170874Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
PPARγ modulator-2 (Compound (R) -2n) is the reversible modulator for PPARγ that inhibits PPARγ ligand-binding domain (LBD) with an IC50 of 41 nM. PPARγ modulator-2 reduces blood glucose, improves the glucose tolerance and insulin tolerance, and exhibits anti-diabetic efficacy in db/db mouse models[1].
CAS Number
2897652-01-4
UNSPSC
12352005
Target
PPAR
Related Pathways
Cell Cycle/DNA Damage; Metabolic Enzyme/Protease; Vitamin D Related/Nuclear Receptor
Field of Research
Metabolic Disease
Smiles
O=S1(C2=CC=C(C=C2)OS(C3=CC=C(C=C3)C)(=O)=O)=N[Se]C4=CC(OS(C5=CC=C(C=C5)C)(=O)=O)=CC=C41
Molecular Formula
C26H21NO7S3Se
Molecular Weight
634.60
References & Citations
[1]Chen F, et al., Identification of Novel Organo-Se BTSA-Based Derivatives as Potent, Reversible, and Selective PPARγ Covalent Modulators for Antidiabetic Drug Discovery. J Med Chem. 2025 Jan 9;68 (1) :819-831.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PPARγ

Chemical Information

[4-[3-(4-Methylphenyl)sulfonyloxy-7-oxo-7lambda6-thia-9-selena-8-azabicyclo[4.3.0]nona-1(6),2,4,7-tetraen-7-yl]phenyl] 4-methylbenzenesulfonate
CAS Number2897652-01-4
PubChem CID176455458
IUPAC Name[4-[3-(4-methylphenyl)sulfonyloxy-7-oxo-7lambda6-thia-9-selena-8-azabicyclo[4.3.0]nona-1(6),2,4,7-tetraen-7-yl]phenyl] 4-methylbenzenesulfonate
Molecular FormulaC26H21NO7S3Se
Molecular Weight634.6
Topological Polar Surface Area141
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count38
Formal Charge0
Complexity1150
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)S3(=N[Se]C4=C3C=CC(=C4)OS(=O)(=O)C5=CC=C(C=C5)C)=O
InChI
InChI=1S/C26H21NO7S3Se/c1-18-3-10-23(11-4-18)36(29,30)33-20-7-14-22(15-8-20)35(28)25-16-9-21(17-26(25)38-27-35)34-37(31,32)24-12-5-19(2)6-13-24/h3-17H,1-2H3
InChIKey
UPCIMBLHLKPIKO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [4-[3-(4-Methylphenyl)sulfonyloxy-7-oxo-7lambda6-thia-9-selena-8-azabicyclo[4.3.0]nona-1(6),2,4,7-tetraen-7-yl]phenyl] 4-methylbenzenesulfonate
CAS: 2897652-01-4
CID: 176455458
Formula: C26H21NO7S3Se
MW: 634.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight634.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass634.96454
Monoisotopic Mass634.96454
Topological Polar Surface Area141 Ų
Heavy Atom Count38
Formal Charge0
Complexity1150
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
HY-176062PPARγ modulator-3
HY-160159PPARγ modulator-1
HY-147757PPARγ/δ modulator 1
HY-173622PPARγ modulator-4
HY-151963PPARγ/GR modulator 1
HY-172883ABP/PPAR modulator 1
HY-179015HSD17B13/PPAR modulator-1
HY-178332SEH/PPARδ modulator 1
HY-172883A(E/Z) -ABP/PPAR modulator 1
HY-156010-01PPARγ-IN-2

Alternative Products

CatalogName
T205068-01PPARγ modulator-2
GTR19250272-01PPARγ/δ modulator 2
GTR19258123-01PPARγ modulator-3
T85673-01PPARγ modulator-1
bs-66048C-01R1664, PPAR-γ Modulator
T75009-01PPARγ/GR modulator 1
GTR19274523-01SEH/PPARδ modulator 1
GTR19258268-01ABP/PPAR modulator 1
GTR19273383-01(E/Z) -ABP/PPAR modulator 1
BA4444-1PPARγ-IN-2

Popular Products