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SR9243

CAT: 0804-HY-16972-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-16972-05Size:100 mg
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Description
SR9243 is a liver-X-receptor (LXR) inverse agonist that induces LXR-corepressor interaction.
CAS Number
1613028-81-1
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
LXR
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease; Vitamin D Related/Nuclear Receptor
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/SR9243.html
Purity
98.88
Solubility
DMSO : 20 mg/mL (ultrasonic)
Smiles
BrC1=CC(CCN(S(C2=C(C)C=C(C)C=C2C)(=O)=O)CC(C=C3)=CC=C3C4=CC(S(=O)(C)=O)=CC=C4)=CC=C1
Molecular Formula
C31H32BrNO4S2
Molecular Weight
626.62
Precautions
H302, H315, H319, H335
References & Citations
[1]Flaveny CA, et al. Broad Anti-tumor Activity of a Small Molecule that Selectively Targets the Warburg Effect and Lipogenesis. Cancer Cell. 2015 Jun 24. pii: S1535-6108 (15) 00183-X.
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

SR9243

SR9243 is a sulfonamide resulting from the formal condensation of the sulfonic acid group of mesitylene-2-sulphonic acid with the amino group of 2-(m-bromophenyl)ethylamine in which the nitrogen is substituted by a 4-[m-(methylsulfonyl)phenyl]benzyl group. It has a role as an antineoplastic agent, an apoptosis inducer and a liver X receptor inverse agonist. It is a sulfonamide, a sulfone and a member of bromobenzenes.

CAS Number1613028-81-1
PubChem CID76073169
IUPAC NameN-[2-(3-bromophenyl)ethyl]-2,4,6-trimethyl-N-[[4-(3-methylsulfonylphenyl)phenyl]methyl]benzenesulfonamide
Molecular FormulaC31H32BrNO4S2
Molecular Weight626.6
XLogP7.2
Topological Polar Surface Area88.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count39
Formal Charge0
Complexity971
SMILES
CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CCC2=CC(=CC=C2)Br)CC3=CC=C(C=C3)C4=CC(=CC=C4)S(=O)(=O)C)C
InChI
InChI=1S/C31H32BrNO4S2/c1-22-17-23(2)31(24(3)18-22)39(36,37)33(16-15-25-7-5-9-29(32)19-25)21-26-11-13-27(14-12-26)28-8-6-10-30(20-28)38(4,34)35/h5-14,17-20H,15-16,21H2,1-4H3
InChIKey
FYQFEJFTCLKXTQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SR9243
CAS: 1613028-81-1
CID: 76073169
Formula: C31H32BrNO4S2
MW: 626.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight626.6
XLogP37.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass625.09561
Monoisotopic Mass625.09561
Topological Polar Surface Area88.3 Ų
Heavy Atom Count39
Formal Charge0
Complexity971
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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A15535-200SR9243 200mg
A15535-25SR9243 25mg
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A15535-5SR9243 5mg
A15535-100SR9243 100mg

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