Products for Research Use Only

Glafenine

CAT: 0013-GTR19176518-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19176518-01Size:50 mg
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Description
Glafenine
CAS Number
3820-67-5
Product Name Alternative
COX, Glafenin, Glafenine, Inhibitor, inhibit
Field of Research
Cell Biology, Immunology & Inflammation, Neuroscience, Pharmacology & Drug Discovery
Purity
97.97% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (5.36 mM) ; DMSO:60 mg/mL (160.94 mM)
Smiles
OCC (O) COC (=O) c1ccccc1Nc1ccnc2cc (Cl) ccc12
Molecular Formula
C19H17ClN2O4
Molecular Weight
372.8
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Glafenine

Glafenine is a carboxylic ester that is 2,3-dihydroxypropyl anthranilate in which the amino group is substituted by a 7-chloroquinolin-4-yl group. A non-steroidal anti-inflammatory drug, glafenine and its hydrochloride salt were used for the relief of all types of pain, but high incidence of anaphylactic reactions resulted in their withdrawal from the market. It has a role as an inhibitor, a non-steroidal anti-inflammatory drug and a non-narcotic analgesic. It is a glycol, a carboxylic ester, an organochlorine compound, an aminoquinoline and a secondary amino compound. It is functionally related to a glycerol and an anthranilic acid.

CAS Number3820-67-5
PubChem CID3474
IUPAC Name2,3-dihydroxypropyl 2-[(7-chloroquinolin-4-yl)amino]benzoate
Molecular FormulaC19H17ClN2O4
Molecular Weight372.8
XLogP3.5
Topological Polar Surface Area91.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count26
Formal Charge0
Complexity467
SMILES
C1=CC=C(C(=C1)C(=O)OCC(CO)O)NC2=C3C=CC(=CC3=NC=C2)Cl
InChI
InChI=1S/C19H17ClN2O4/c20-12-5-6-14-17(7-8-21-18(14)9-12)22-16-4-2-1-3-15(16)19(25)26-11-13(24)10-23/h1-9,13,23-24H,10-11H2,(H,21,22)
InChIKey
GWOFUCIGLDBNKM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Glafenine
CAS: 3820-67-5
CID: 3474
Formula: C19H17ClN2O4
MW: 372.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight372.8
XLogP33.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass372.0876847
Monoisotopic Mass372.0876847
Topological Polar Surface Area91.7 Ų
Heavy Atom Count26
Formal Charge0
Complexity467
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