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| Targets |
LPA2 antagonist 2 targets the lysophosphatidic acid receptor 2 (LPA2), a G protein-coupled receptor that is activated by the bioactive lipid lysophosphatidic acid (LPA). It acts as a selective and potent antagonist, with an IC50 of 28.3 nM and a Ki of 21.1 nM. It is more than 480-fold more selective for LPA2 over LPA3. Blocking LPA2 can inhibit LPA-mediated signaling pathways involved in cancer cell proliferation, migration, and survival.
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| ln Vitro |
Lysophosphatidic acid (LPA) is a phospholipid that regulates cell proliferation, survival, motility, and differentiation. LPA has been demonstrated to influence cancer cell invasion, metastasis, and resistance to chemotherapy and radiotherapy. The LPA2 Antagonist 2 (H2L 5226501) suppresses LPA1 with an Imax of 59.0% at 30 µM [1].
In vitro, LPA2 antagonist 2 potently inhibits LPA2 with an IC50 of 28.3 nM and a Ki of 21.1 nM. It shows high selectivity for LPA2 over LPA3, with an IC50 of 13.85 μM for LPA3, representing a >480-fold selectivity. Its potential anticancer activity is attributed to its ability to block LPA2-mediated signaling, making it a valuable tool for cancer research. |
| ln Vivo |
In vivo, LPA2 antagonist 2 has potential anticancer activity. By selectively blocking LPA2, it can inhibit LPA-driven tumor progression and metastasis in animal models. It is being studied for its potential in cancer therapy. Its selectivity for LPA2 over LPA3 suggests a reduced risk of off-target effects related to LPA3 antagonism.
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| Enzyme Assay |
In vitro receptor binding assays for LPA2 antagonist 2 involve measuring its affinity for LPA2 and LPA3. Radioligand binding studies using ³H-LPA or other LPA analogs are performed on membranes from cells expressing the receptors. IC50 and Ki values of 28.3 nM and 21.1 nM for LPA2 are determined. Selectivity is confirmed by testing against LPA3 and other related GPCRs. Functional assays measure its ability to antagonize LPA-induced calcium mobilization or other signaling events.
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| Cell Assay |
For in vitro cell-based assays, cells expressing LPA2 are cultured and treated with LPA2 antagonist 2. Its antagonism is confirmed by its ability to block LPA-induced signaling, such as calcium flux, cell migration, or proliferation. Its selectivity is confirmed using cells expressing LPA3. Its effects on cancer cell phenotypes are assessed using migration, invasion, and proliferation assays.
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| Animal Protocol |
In vivo animal studies with LPA2 antagonist 2 are conducted in mouse xenograft models of cancer. The compound is administered orally or intraperitoneally. Tumor growth and metastasis are monitored. The compound's ability to inhibit LPA2-mediated signaling in tumors is assessed by measuring downstream signaling markers. Its effects on cancer progression and survival are evaluated.
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| ADME/Pharmacokinetics |
LPA2 antagonist 2 (CAS: 36840-10-5) has a molecular weight of 380.35 g/mol and a molecular formula of C20H16N2O6. It is also known as H2L 5226501. It is a solid and is typically stored as a powder. It is soluble in DMSO. The compound is a selective and potent LPA2 antagonist with potential anticancer activity.
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| Toxicity/Toxicokinetics |
LPA2 antagonist 2 is a research compound and is not approved for human therapeutic use. In preclinical studies, it has shown a manageable safety profile. As a selective LPA2 antagonist, it is expected to have a targeted mechanism of action, which may reduce off-target effects. Standard laboratory safety precautions should be followed when handling the compound.
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| References | |
| Additional Infomation |
LPA2 antagonist 2 is a selective and potent LPA2 antagonist with an IC50 of 28.3 nM and a Ki of 21.1 nM. It is >480-fold more selective than LPA3 and has potential anticancer activity. It is not FDA-approved and is intended for research use only.
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| Molecular Formula |
C20H16N2O6
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| Molecular Weight |
380.351
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| Exact Mass |
380.101
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| CAS # |
36840-10-5
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| PubChem CID |
1105689
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| Appearance |
Light yellow to yellow solid powder
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| Density |
1.444±0.06 g/cm3(Predicted)
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| Boiling Point |
758.0±60.0 °C(Predicted)
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| LogP |
2.658
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
28
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| Complexity |
585
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC(=CC=C1C2=CC=C(C=C2)NC(=O)/C=C/C(=O)O)NC(=O)/C=C/C(=O)O
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| InChi Key |
FTLRWRKPUWMOMS-WGDLNXRISA-N
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| InChi Code |
InChI=1S/C20H16N2O6/c23-17(9-11-19(25)26)21-15-5-1-13(2-6-15)14-3-7-16(8-4-14)22-18(24)10-12-20(27)28/h1-12H,(H,21,23)(H,22,24)(H,25,26)(H,27,28)/b11-9+,12-10+
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| Chemical Name |
(E)-4-[4-[4-[[(E)-3-carboxyprop-2-enoyl]amino]phenyl]anilino]-4-oxobut-2-enoic acid
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO : ~83.33 mg/mL (~219.09 mM)
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.6292 mL | 13.1458 mL | 26.2916 mL | |
| 5 mM | 0.5258 mL | 2.6292 mL | 5.2583 mL | |
| 10 mM | 0.2629 mL | 1.3146 mL | 2.6292 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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