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> G Protein-Coupled Receptor Ligands>Orphan Receptors>ML193

Orphan Receptors

ML193 View larger

ML193

AOB1576

CAS No: 713121-80-3

Chemical Name: N-{4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}-6,8-dimethyl-2-(pyridin-2-yl)quinoline-4-carboxamide; AC1LOE9L; CID-1261822

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Quantity Discount Table - Order More To Get More Price Discount

QuantitymgUnit Price ($/mg or $/Unit)Final Price
15 $17.85 Total: $89.25
110 $15.12 Total: $151.20
125 $12.81 Total: $320.25
150 $10.92 Total: $546.00
1100 $9.45 Total: $945.00

Data sheet

Molecular FormulaC28H25N5O4S
Molecular Weight527.59
CAS Numbers713121-80-3
Storage Condition0°C (short term), -20°C (long term), desiccated
SolubilityDMSO
Purity98% by HPLC
IUPAC/Chemical NameN-[4-[[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl]phenyl]-6,8-dimethyl-2-(2-pyridinyl)-4-quinolinecarboxamide
InChl KeyHTSLEZOTMYUPLU-UHFFFAOYSA-N
InChl CodeInChI=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)
SMILES CodeO=C(C1=C(C=C(C)C=C2C)C2=NC(C3=CC=CC=N3)=C1)NC4=CC=C(S(NC5=C(C)C(C)=NO5)(=O)=O)C=C4
References1) Heynen-Genel, S., Dahl, R., Shi, S., et al. Screening for selective ligands for GPR55. NIH Molecular Libraries (2010).

2) Kotsikorou, E., Sharir, H., Shore, D.M., et al. Identification of the GPR55 antagonist binding site using a novel set of high-potency GPR55 selective ligands. Biochemistry 52(52), 9456-9469 (2013).

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Selective Antagonists of GPR55

Functionality

  1. Target:

    • ML-193 binds to GPR55, which is a G protein–coupled receptor. Discovery Dundee+1

    • GPR55 has been linked to a variety of physiological and pathological processes, including inflammatory pain, neuropathic pain, metabolism, bone development, and cancer. 

  2. Antagonist Activity:

    • Its IC₅₀ against GPR55 is ~ 221 nM, meaning it inhibits GPR55 signaling at that concentration. 

    • It shows strong selectivity: for example, it’s >27-fold more selective for GPR55 over GPR35, CB1, and CB2 receptors. 

  3. Cellular Effects (In Vitro):

    • In U2OS cells, ML-193 inhibits β-arrestin trafficking that’s normally induced by the GPR55 agonist L-α-lysophosphatidylinositol (LPI). 

    • It also reduces ERK1/2 phosphorylation (a downstream signaling event) in response to LPI, with an IC₅₀ of ~0.2 µM. 

    • In human neural stem cells (hNSCs), ML-193 can dampen proliferation and reduce differentiation induced by GPR55 agonists. 

  4. In Vivo Effects:

    • In a rat model of Parkinson’s disease (using 6-hydroxydopamine lesioning), intra-striatal administration of ML-193 (1–5 µg per rat) improved motor coordination and reduced sensorimotor deficits. 

    • This suggests potential neuroprotective or symptomatic benefits via blocking GPR55 in the brain. 

  5. Pharmacological Utility:

    • Because of its potency and selectivity, ML-193 is used as a research tool to probe GPR55 function. Karger Publishers

    • It helps scientists understand how GPR55 contributes to physiological processes and disease, by selectively blocking the receptor.

Why It's Important

  • Therapeutic Relevance: Since GPR55 is implicated in pain, cancer, and neurodegeneration, ML-193 (or derivatives) might help in the development of new therapies, or at least in understanding disease mechanisms.

  • Tool Compound: It’s very valuable for basic research, particularly for dissecting signaling pathways mediated by GPR55.

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