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ML-193

CAT: 0931-T22103-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T22103-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
713121-80-3
Target
Cannabinoid Receptor
Related Pathways
GPCR/G Protein
Purity
0.9979
Bioactivity
ML-193 (CID 1261822) is a potent and selective GPR55 antagonist (IC50: 221 nM) with over 27-fold selectivity for GPR55 over GPR35, CB1, and CB2. It can ameliorate motor and sensorimotor deficits in Parkinson's disease (PD) rats.
Smiles
Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cc(nc4c(C)cc(C)cc34)-c3ccccn3)cc2)c1C
Molecular Formula
C28H25N5O4S
Molecular Weight
527.59
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

ML193

N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-6,8-dimethyl-2-(2-pyridinyl)-4-quinolinecarboxamide is an aromatic amide.

CAS Number713121-80-3
PubChem CID1261822
IUPAC NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxamide
Molecular FormulaC28H25N5O4S
Molecular Weight527.6
XLogP4.5
Topological Polar Surface Area135
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count38
Formal Charge0
Complexity921
SMILES
CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=CC=N3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=C(C(=NO5)C)C)C
InChI
InChI=1S/C28H25N5O4S/c1-16-13-17(2)26-22(14-16)23(15-25(31-26)24-7-5-6-12-29-24)27(34)30-20-8-10-21(11-9-20)38(35,36)33-28-18(3)19(4)32-37-28/h5-15,33H,1-4H3,(H,30,34)
InChIKey
HTSLEZOTMYUPLU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of ML193
CAS: 713121-80-3
CID: 1261822
Formula: C28H25N5O4S
MW: 527.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight527.6
XLogP34.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass527.16272547
Monoisotopic Mass527.16272547
Topological Polar Surface Area135 Ų
Heavy Atom Count38
Formal Charge0
Complexity921
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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Alternative Products

CatalogName
C4531-10ML-193
NDB12180-01ML 193
A22553-25ML-193 25mg
A22553-5ML-193 5mg
A22553-10ML-193 10mg
A22553-100ML-193 100mg
A22553-50ML-193 50mg
A22553-10mM-DML-193 10mM * 1mL in DMSO
BDE19301ZT10BDE 193 10ug/ml in Iso-octane
BDE1931ZT1BDE 193 100ug/ml in Iso-octane

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