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Bufrolin

CAT: 0804-HY-106481Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-106481Size:1 mg
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Description
Bufrolin is a Cromoglycate (histamine release inhibitor) analog and a high potency agonist of GPR35. Bufrolin promotes interactions between β-arrestin-2 and either human GPR35a or rat GPR35. Bufrolin also serves as antiallergic mast cell stabilizer and inhibit an anti-inflammatory response inducible by the internalization peptide. Bufrolin acts as an anti-inflammatory agent to be used in research of delivering pharmacol linked with internalization peptide[1][2][3].
CAS Number
54867-56-0
UNSPSC
12352005
Target
GPR35 ; Histamine Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Immunology/Inflammation; Neuronal Signaling
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/bufrolin.html
Purity
95.16
Solubility
10 mM in DMSO
Smiles
O=C1C2=C3C(C(C=C(C(O)=O)N3)=O)=CC(CCCC)=C2NC(C(O)=O)=C1
Molecular Formula
C18H16N2O6
Molecular Weight
356.33
References & Citations
[1]MacKenzie AE, et al. The antiallergic mast cell stabilizers lodoxamide and bufrolin as the first high and equipotent agonists of human and rat GPR35. Mol Pharmacol. 2014 Jan;85 (1) :91-104. |[2]Tymianski M, et al. Co-administration of an agent linked to an internalization peptide with an anti-inflammatory: United States, US8933013 B2. 2015-01-13. |[3]Church M K, et al. Comparison of sodium cromoglycate derivatives, anti-histamines and β-stimulants on histamine release from human lung in vitro[J]. International Archives of Allergy and Immunology, 1981, 66 (Suppl. 1) : 281-282.
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

Bufrolin

Bufrolin is a small molecule drug. Bufrolin has a monoisotopic molecular weight of 356.1 Da.

CAS Number54867-56-0
PubChem CID72103
IUPAC Name6-butyl-4,10-dioxo-1,7-dihydro-1,7-phenanthroline-2,8-dicarboxylic acid
Molecular FormulaC18H16N2O6
Molecular Weight356.3
XLogP2.5
Topological Polar Surface Area133
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity725
SMILES
CCCCC1=CC2=C(C3=C1NC(=CC3=O)C(=O)O)NC(=CC2=O)C(=O)O
InChI
InChI=1S/C18H16N2O6/c1-2-3-4-8-5-9-12(21)6-10(17(23)24)20-16(9)14-13(22)7-11(18(25)26)19-15(8)14/h5-7H,2-4H2,1H3,(H,19,22)(H,20,21)(H,23,24)(H,25,26)
InChIKey
BQVIONBNDNFCCP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bufrolin
CAS: 54867-56-0
CID: 72103
Formula: C18H16N2O6
MW: 356.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight356.3
XLogP32.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass356.10083623
Monoisotopic Mass356.10083623
Topological Polar Surface Area133 Ų
Heavy Atom Count26
Formal Charge0
Complexity725
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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