| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| Other Sizes |
| Targets |
LPA2-IN-1 specifically targets the lysophosphatidic acid receptor 2 (LPA2), a G protein-coupled receptor that is activated by the lipid signaling molecule lysophosphatidic acid (LPA). It acts as a potent and selective antagonist, blocking the activation of LPA2 by its ligand. This inhibition prevents downstream signaling, including the phosphorylation of Erk and the proliferation of cancer cells.
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| ln Vitro |
The concentration-dependent inhibition of LPA-induced Erk phosphorylation is exhibited by LPA2 antagonist 1. In a dose-dependent way, LPA2 antagonist 1 prevents HCT-116 colon cancer cells from proliferating when exposed to LPA [1].
In vitro, LPA2-IN-1 demonstrates potent antagonist activity at the LPA2 receptor. It inhibits LPA-induced Erk phosphorylation in a concentration-dependent manner. It also inhibits HCT-116 colon cancer cell proliferation caused by LPA in a dose-dependent manner. Its IC50 for inhibiting LPA2-mediated Erk activation is 17 nM. This confirms its role as a potent and selective LPA2 antagonist. |
| ln Vivo |
In vivo, LPA2-IN-1 is used in research to study the role of LPA2 signaling. While specific in vivo efficacy data are not detailed in the provided sources, its mechanism of inhibiting LPA2-mediated signaling supports its potential for studying diseases where LPA2 is implicated, such as cancer. It is a valuable tool for validating LPA2 as a therapeutic target.
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| Enzyme Assay |
In vitro enzyme/receptor binding studies for LPA2-IN-1 are not typical, as it is a receptor antagonist. Its activity is assessed in cell-based functional assays rather than direct binding to a purified enzyme. The compound's potency is determined by measuring its ability to inhibit LPA2-mediated signaling, such as Erk phosphorylation, in cells expressing the receptor. This confirms its antagonist activity at the receptor level.
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| Cell Assay |
In vitro cellular assays for LPA2-IN-1 are the primary method for evaluating its activity. In these experiments, cells expressing LPA2, such as HCT-116 colon cancer cells, are treated with the compound and then stimulated with LPA. The inhibition of downstream signaling, such as Erk phosphorylation, is measured by Western blotting. Additionally, the compound's ability to inhibit LPA-induced cell proliferation is assessed.
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| Animal Protocol |
In vivo animal studies for LPA2-IN-1 are not extensively documented in the provided sources. As a research tool for studying LPA2 biology, it would be used in animal models of cancer or other diseases where LPA2 signaling is implicated. Such studies would involve administering the compound and measuring relevant endpoints like tumor growth or inflammation.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of LPA2-IN-1 are indicated by its molecular weight of 500.46 g/mol and a molecular formula of C₂₀H₂₃Cl₂N₅O₂S₂. It is a solid powder. Its solubility is not detailed in the provided sources. For storage, it is typically kept at -20°C to maintain stability. These properties are important for its use in laboratory studies.
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| Toxicity/Toxicokinetics |
Toxicological data for LPA2-IN-1 are limited, as it is a research compound. Its primary value is as a tool for studying LPA2 signaling. While specific toxicity profiles are not detailed, its mechanism of blocking a GPCR could have significant biological effects. Comprehensive safety studies are not available in the public domain.
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| References | |
| Additional Infomation |
LPA2-IN-1 is a research-use-only compound that acts as a potent and selective LPA2 antagonist. Its CAS number is 1017606-66-4. It is also known as LPA2 antagonist 1. This compound is a valuable tool for researchers studying the role of LPA2 in cancer and other diseases. It is not an approved drug.
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| Molecular Formula |
C20H23CL2N5O2S2
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|---|---|
| Molecular Weight |
500.457
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| Exact Mass |
499.067
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| CAS # |
1017606-66-4
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| PubChem CID |
24882686
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| Appearance |
White to off-white solid powder
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| Density |
1.5±0.1 g/cm3
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| Boiling Point |
684.6±65.0 °C at 760 mmHg
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| Flash Point |
367.8±34.3 °C
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| Vapour Pressure |
0.0±2.1 mmHg at 25°C
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| Index of Refraction |
1.663
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| LogP |
6.48
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
31
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| Complexity |
704
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| Defined Atom Stereocenter Count |
1
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| SMILES |
CC1=CSC2=C1N=CN=C2N[C@@H](C)CN3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)Cl)Cl
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| InChi Key |
BPRNMVDTWIHULJ-AWEZNQCLSA-N
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| InChi Code |
InChI=1S/C20H23Cl2N5O2S2/c1-13-11-30-19-18(13)23-12-24-20(19)25-14(2)10-26-5-7-27(8-6-26)31(28,29)15-3-4-16(21)17(22)9-15/h3-4,9,11-12,14H,5-8,10H2,1-2H3,(H,23,24,25)/t14-/m0/s1
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| Chemical Name |
N-[(2S)-1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]propan-2-yl]-7-methylthieno[3,2-d]pyrimidin-4-amine
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| Synonyms |
LPA2-IN-1 LPA2 antagonist 1
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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) |
DMF :≥ 100 mg/mL (~199.82 mM)
DMSO : ≥ 100 mg/mL (~199.82 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (5.00 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (5.00 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.9982 mL | 9.9908 mL | 19.9816 mL | |
| 5 mM | 0.3996 mL | 1.9982 mL | 3.9963 mL | |
| 10 mM | 0.1998 mL | 0.9991 mL | 1.9982 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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