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| Targets |
LMD-009 targets the CC chemokine receptor 8 (CCR8), a G protein-coupled receptor involved in immune cell chemotaxis and inflammation. As a selective agonist, LMD-009 stimulates CCR8-mediated signaling pathways, including inositol phosphate accumulation and calcium release. It selectively activates CCR8 among 20 identified human chemokine receptors.
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| ln Vitro |
In harvested COS-7 cells expressing human CCR8, LMD-009 (0 -20 nM; 90 min) increases the formation of phosphoinositides [1]. LMD-009 (0-100 nM; 90 min) 1 h) mediates LMD-009 (0.1 nM-100 μM; 40 min)-induced migration of L1.2 cells [1]. LMD-009 (0–10 μM; 90 min) releases calcium from COS-Chinese hamster ovarian cells [1]. Other human chemokine receptors are not antagonistically active to LMD-009 (0-10 nM; 90 min) [1]. Molecular reactions in 7 cells deviate from CCR8 mutations [1].
In vitro, LMD-009 (0-20 nM; 90 min) stimulates inositol phosphate accumulation in COS-7 cells expressing the human CCR8 receptor. It mediates calcium release in Chinese hamster ovary cells (0-100 nM; 1 h) and induces L1.2 cell migration (0.1 nM-100 μM; 40 min). The compound shows no antagonist activity against other human chemokine receptors at concentrations up to 10 nM. |
| ln Vivo |
In vivo activity data for LMD-009 are limited in the available literature. As a selective CCR8 agonist, it has potential applications in modulating inflammatory and neurodegenerative processes. The compound's anti-inflammatory activity suggests potential therapeutic applications. Further in vivo studies are needed to characterize its efficacy and safety in animal models.
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| Enzyme Assay |
In vitro receptor binding assays for LMD-009 are performed using membrane preparations expressing human CCR8. Radioligand competition binding assays using ¹²⁵I-CCL1 are used to measure the compound's affinity for CCR8, with a reported affinity of 66 nM. Functional assays measure CCR8-mediated signaling, including inositol phosphate accumulation and calcium release.
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| Cell Assay |
Cell Viability Assay[1]
Cell Types: COS-7 cells Tested Concentrations: 0-20 nM Incubation Duration: 90 minutes Experimental Results: Stimulates the accumulation of phosphoinositide in COS-7 cells expressing human CCR8 receptor with an EC50 value of 11 nM. Does not inhibit any receptors of other human chemokine receptors. Cell viability assay [1] Cell Types: Chinese hamster ovary cells Tested Concentrations: 0-100 nM Incubation Duration: 1 hour Experimental Results: Calcium release from Chinese hamster ovary cells is regulated, EC50 value is 87 nM. Cell migration assay [1] Cell Types: Lymphocyte L1.2 cells. Tested Concentrations: 0.1 nM- 100 μM Incubation Duration: 40 minutes Experimental Results: The Ki value of L1.2 cells is 66 nM, and it specifically binds 125I-CCL1. In vitro cellular assays for LMD-009 are performed using cells expressing human CCR8, such as COS-7, Chinese hamster ovary (CHO) cells, or L1.2 cells. Cells are treated with the compound, and inositol phosphate accumulation is measured using radiometric assays. Calcium release is measured using fluorescence-based calcium indicators. Cell migration is assessed using Boyden chamber assays. |
| Animal Protocol |
In vivo animal experimental protocols for LMD-009 are not extensively documented. As a research compound with potential anti-inflammatory applications, in vivo studies would typically involve administration to animal models of inflammatory disease. The compound would be administered via appropriate routes, and efficacy would be assessed by measuring inflammatory markers and disease severity.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of LMD-009 have not been systematically characterized. The compound has a molecular weight of 471.59 and molecular formula C₂₉H₃₃N₃O₃. It is supplied as a solid and should be stored as a powder at -20°C for up to 3 years or at 4°C for up to 2 years. In solvent, it can be stored at -80°C for 6 months or at -20°C for 1 month.
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| Toxicity/Toxicokinetics |
Toxicological data for LMD-009 are not extensively reported. As a research-use compound, its safety profile has not been formally evaluated in comprehensive preclinical toxicology studies. The compound is intended for research purposes only and is not approved for human therapeutic use. Standard laboratory safety precautions should be followed when handling this compound.
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| References | |
| Additional Infomation |
LMD-009 is a selective CCR8 non-peptide agonist with CAS number 950195-51-4, molecular formula C₂₉H₃₃N₃O₃, and molecular weight 471.59. It mediates chemotaxis, inositol phosphate accumulation, and calcium release with EC₅₀ values of 11-87 nM. It selectively activates CCR8 among human chemokine receptors. This product is for research use only.
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| Molecular Formula |
C29H33N3O3
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| Molecular Weight |
471.59062743187
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| Exact Mass |
471.252
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| CAS # |
950195-51-4
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| PubChem CID |
91032188
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| Appearance |
White to off-white solid powder
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| LogP |
4.8
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
35
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| Complexity |
674
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C1C2(CCN(CC3C=C(OC4C(OC)=CC=CC=4)C=CC=3)CC2)N(CCC2C=CC=CC=2)CN1
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| InChi Key |
MRXASGVUQJVWMP-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C29H33N3O3/c1-34-26-12-5-6-13-27(26)35-25-11-7-10-24(20-25)21-31-18-15-29(16-19-31)28(33)30-22-32(29)17-14-23-8-3-2-4-9-23/h2-13,20H,14-19,21-22H2,1H3,(H,30,33)
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| Chemical Name |
8-[[3-(2-methoxyphenoxy)phenyl]methyl]-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-4-one
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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 : ~250 mg/mL (~530.12 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.41 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (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 20.8 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: ≥ 2.08 mg/mL (4.41 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (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 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (4.41 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.1205 mL | 10.6024 mL | 21.2049 mL | |
| 5 mM | 0.4241 mL | 2.1205 mL | 4.2410 mL | |
| 10 mM | 0.2120 mL | 1.0602 mL | 2.1205 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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