| Field | Specification |
|---|---|
| Target | |
| Alternative names | CID23612552 |
| CAS no. | |
| Applications | |
| Molecular weight | |
| Molecular formula | C24H25N3O3 |
| Purity | |
| SMILES | |
| Form | Solid |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
ML191, also known as CID23612552, is a GPR55 antagonist that inhibits ERK phosphorylation and PKCβII translocation downstream of GPR55 signaling. It suppresses LPI-induced activation of ERK1/2 and p38 MAPK signaling, blocks transcription of RANKL-induced osteoclastogenesis markers, and reduces the bone resorption activity of mature osteoclasts promoted by RANKL, and it can be used to investigate diseases involving bone degradation from excessive osteoclast activation, such as osteoporosis and bone damage during the formative stage of bone metastases[1][2]. It is supplied as an off-white to light yellow solid (C24H25N3O3, MW 403.47) at 99.81% purity.
Physical & Chemical Properties
| CAS Number | 931695-79-3 |
|---|---|
| Molecular Formula | C24H25N3O3 |
| Molecular Weight | 403.47 g/mol |
| Purity | 99.81% |
| Appearance | Solid |
| Color | Off-white to light yellow |
| SMILES | O=C1OC(C2=CC=CC=C2)=NN1C3CCN(C(C4(C5=CC=C(C)C=C5)CC4)=O)CC3 |
| Target | ERK1, ERK2, PKC-βII |
| Signaling Pathway | GPCR/G Protein; Neuronal Signaling; Cell Cycle/DNA Damage; Epigenetics; TGF-beta/Smad; Stem Cell/Wnt; MAPK/ERK Pathway |
| Solubility | In Vitro: DMSO: 100 mg/mL (247.85 mM; Requires sonication; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO) |
| Storage | Powder: -20°C, 3 years; 4°C, 2 years. In solvent: -80°C, 6 months; -20°C, 1 month. |
| Shipping | Room temperature in continental US; may vary elsewhere. |
Literature Cited
Sources cited in this description and in the In Vitro & In Vivo Data tab. Peer-reviewed publications that used this product are listed under References.
Safety
For Research Use Only. Not for use in diagnostic or therapeutic procedures, and not for human or veterinary use. Handle in accordance with the Safety Data Sheet and your institution's chemical hygiene plan.
In Vitro
| Solvent | Solubility | Notes |
|---|---|---|
| DMSO | 100 mg/mL (247.85 mM) | requires sonication; use freshly opened DMSO (absorbed moisture lowers solubility) |
Aliquot the stock solution and store it at -80°C (up to 6 months) or -20°C (up to 1 month); avoid repeated freeze-thaw cycles.
In Vivo
Choose the formulation that suits the animal model and route of administration; percentages are volume ratios of the final working solution. Start from a clear DMSO stock (see In Vitro above), add the co-solvents one at a time in the order listed, mixing after each addition, and prepare the working solution fresh on the day of dosing. If precipitation or phase separation occurs, gentle warming or sonication can help.
Protocol 1
| Composition | 10% DMSO + 90% Corn Oil |
|---|---|
| Result | ≥ 2.5 mg/mL (6.20 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 2.5 mg/mL (saturation not determined). Use with caution if continuous dosing will exceed two weeks. For 1 mL of working solution: add 100 μL DMSO stock (25.0 mg/mL) to 900 μL corn oil. |
Data provided by the manufacturer.
In Vitro
In U2OS cells, ML191 (0.06-32 μM; 30-75 min) potently inhibits GPR55-mediated β-arrestin translocation, with an IC50 of 1.08 μM. Its selectivity over GPR35 and CB2 is more than 29-fold, while its selectivity for the CB1 receptor is only weak[1]. In HEK293 cells, ML191 (10-30 μM) inhibits GPR55-mediated PKCβII translocation, with the greatest inhibitory effect seen at 30 μM[1]. In GPR55-expressing cells, ML191 inhibits GPR55-mediated ERK1/2 phosphorylation (EC50 of 0.143 μM)[1]. ML191 potently inhibits LPI-induced phosphorylation of ERK2 and p38 in shCTRL-HeLa cells (30 μM; 10 min pre-incubation, 10 min LPI stimulation), reducing LPI-activated ERK2 to 1.8-fold of its basal level and p38 activation to 1.2-fold of its basal level at 10 min post stimulation[2]. In RAW264.7 cells, ML191 (0.5 μM; 72 h) inhibits RANKL-induced osteoclast maturation and lowers mRNA levels of the key osteoclastogenic markers (Nfatc1, Cathepsin-k, Mmp-9, Trap) by 30%-70%; after 72 h of treatment, Gpr55 mRNA rises to 46.1 times the level in undifferentiated cells[2]. ML191 (0.5 μM; 7 days) inhibits bone resorption by mature osteoclasts differentiated from RAW264.7 cells and cuts total bone erosion area by 30% following 7 days of RANKL treatment[2].
Western Blot Analysis[2]
| Cell Line | shCTRL-HeLa |
|---|---|
| Concentration | 30 μM |
| Incubation Time | 10 min (pre-incubation); 5 min, 10 min (LPI stimulation) |
| Result | Reduced LPI-stimulated ERK2 phosphorylation to 1.8-fold the ML191 basal level at 10 min of LPI stimulation. Reduced LPI-stimulated p38 phosphorylation to 1.2-fold the ML191 basal level at 10 min of LPI stimulation. Increased basal activation of both ERK2 and p38 significantly. |
Real Time qPCR[2]
| Cell Line | RAW264.7 |
|---|---|
| Concentration | 0.5 μM |
| Incubation Time | 72 h |
| Result | Reduced Nfatc1 mRNA levels by 50% at 72 h. Reduced Cathepsin-k mRNA levels by 60% at 72 h. Reduced Mmp-9 mRNA levels by 30% at 72 h. Reduced Trap mRNA levels by 70% at 72 h. Caused no change in Ctr mRNA levels at 72 h. Increased Gpr55 mRNA levels to 46.1-fold non-differentiated levels (1.8-fold relative to RANKL alone) at 72 h. |
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
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