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GPR35 agonist 4

CAT: 0804-HY-107539-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-107539-01Size:1 mg
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Description
GPR35 agonist 4 (compound 10) is a potent GPR35 agonist with an pEC50 of 5.86. GPR35 agonist 4 shows high potency human and rat GPR35. Mutation of arginine 3.36 eliminates agonist function of GPR35 agonist 4[1].
CAS Number
871085-49-3
UNSPSC
12352005
Target
GPR35
Type
Reference compound
Related Pathways
GPCR/G Protein
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/gpr35-agonist-4.html
Purity
99.0
Solubility
DMSO : 27.9 mg/mL (ultrasonic)
Smiles
O=C(NC(S/1)=O)C1=C\C2=CC=C(C=C2)OCC(O)=O
Molecular Formula
C12H9NO5S
Molecular Weight
279.27
References & Citations
[1]Jenkins L, et al. Agonist activation of the G protein-coupled receptor GPR35 involves transmembrane domain III and is transduced via Gα₁₃ and β-arrestin-2. Br J Pharmacol. 2011 Feb;162 (3) :733-48.
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

2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid

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CAS Number871085-49-3
PubChem CID2295463
IUPAC Name2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid
Molecular FormulaC12H9NO5S
Molecular Weight279.27
XLogP1.8
Topological Polar Surface Area118
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity426
SMILES
C1=CC(=CC=C1/C=C\2/C(=O)NC(=O)S2)OCC(=O)O
InChI
InChI=1S/C12H9NO5S/c14-10(15)6-18-8-3-1-7(2-4-8)5-9-11(16)13-12(17)19-9/h1-5H,6H2,(H,14,15)(H,13,16,17)/b9-5-
InChIKey
WXMCOLGPDOYHNK-UITAMQMPSA-N
Chemical Structure
2D Structure
2D structure of 2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid
CAS: 871085-49-3
CID: 2295463
Formula: C12H9NO5S
MW: 279.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight279.27
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass279.02014356
Monoisotopic Mass279.02014356
Topological Polar Surface Area118 Ų
Heavy Atom Count19
Formal Charge0
Complexity426
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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