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SR-4559

CAT: 0804-HY-111953-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-111953-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SR-4559 (Compound 4) is a α/β hydrolase domain-containing protein 5 (ABHD5) ligand. SR-4559 activates adipose triglyceride lipase (ATGL) and stimulates lipolysis by inhibiting ABHD5-PLIN interactions in adipocytes and muscle cells. SR-4559 can be used for metabolic diseases like Chanarin Dorfman syndrome research[1]
CAS Number
847939-23-5
UNSPSC
12352005
Hazard Statement
H315, H319, H335
Target
ATGL
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Metabolic Disease
Purity
98.81
Smiles
O=S(C1=CC=C(OCCO2)C2=C1)(N3CCN(C(CC4=COC5=C4C=CC(C)=C5)=O)CC3)=O
Molecular Formula
C23H24N2O6S
Molecular Weight
456.51
Precautions
H315, H319, H335
References & Citations
[1]Lum KM, et al. Mapping Protein Targets of Bioactive Small Molecules Using Lipid-Based Chemical Proteomics. ACS Chem Biol. 2017 Oct 20;12 (10) :2671-2681.
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

1-[4-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)piperazin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethan-1-one
CAS Number847939-23-5
PubChem CID2674365
IUPAC Name1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone
Molecular FormulaC23H24N2O6S
Molecular Weight456.5
XLogP2.4
Topological Polar Surface Area97.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity778
SMILES
CC1=CC2=C(C=C1)C(=CO2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5
InChI
InChI=1S/C23H24N2O6S/c1-16-2-4-19-17(15-31-21(19)12-16)13-23(26)24-6-8-25(9-7-24)32(27,28)18-3-5-20-22(14-18)30-11-10-29-20/h2-5,12,14-15H,6-11,13H2,1H3
InChIKey
HJVYLFAPJPGKEE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[4-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)piperazin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethan-1-one
CAS: 847939-23-5
CID: 2674365
Formula: C23H24N2O6S
MW: 456.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight456.5
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass456.13550766
Monoisotopic Mass456.13550766
Topological Polar Surface Area97.7 Ų
Heavy Atom Count32
Formal Charge0
Complexity778
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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