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MDL-27531

CAT: 0804-HY-W975902Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-W975902Size:1 Each
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Description
MDL-27531 acts functionally like a glycine agonist. MDL-27531 selectively reduces hindlimb contractions. MDL-27531 selectively reverses strychnine-induced seizures in mice. MDL-27531 inhibits pentylenetetrazol-induced seizures with an ED50 of 55 mg/kg. MDL-27531 promotes the binding of benzodiazepine antagonist Ro 15-1788 to cerebral cortex of mice without changing GABA levels. MDL-27531 can be studied in research on reflex control dysfunction[1][2].
CAS Number
116850-44-3
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Glycine Receptor (GlyR)
Related Pathways
Membrane Transporter/Ion Channel
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Smiles
O=S(=O)(C1=NN=C(C=2C=CC=CC2)N1C)C
Molecular Formula
C10H11N3O2S
Molecular Weight
237.28
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Kehne, J. H., et al., (1992) . MDL 27,531 selectively reverses strychnine-induced seizures in mice. British journal of pharmacology, 106 (4), 910-916.|[2]Kehne, J. H., et al., (1992) . MDL 27,531 reduces spontaneous hindlimb contractions in rats with chronic transections of the spinal cord. Neuroscience letters, 147 (1), 101-105.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

4-Methyl-3-methylsulfonyl-5-phenyl-4H-1,2,4-triazole

structure given in first source; selectively reverses strychnine-induced seizures

CAS Number116850-44-3
PubChem CID164013
IUPAC Name4-methyl-3-methylsulfonyl-5-phenyl-1,2,4-triazole
Molecular FormulaC10H11N3O2S
Molecular Weight237.28
XLogP0.7
Topological Polar Surface Area73.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity332
SMILES
CN1C(=NN=C1S(=O)(=O)C)C2=CC=CC=C2
InChI
InChI=1S/C10H11N3O2S/c1-13-9(8-6-4-3-5-7-8)11-12-10(13)16(2,14)15/h3-7H,1-2H3
InChIKey
DPGDRICHXKQXEN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Methyl-3-methylsulfonyl-5-phenyl-4H-1,2,4-triazole
CAS: 116850-44-3
CID: 164013
Formula: C10H11N3O2S
MW: 237.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight237.28
XLogP30.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass237.05719778
Monoisotopic Mass237.05719778
Topological Polar Surface Area73.2 Ų
Heavy Atom Count16
Formal Charge0
Complexity332
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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