| Size | Price | Stock | Qty |
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| 5mg |
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| 100mg | |||
| 250mg | |||
| Other Sizes |
| Targets |
LY 344864 S-enantiomer targets the 5-HT1F serotonin receptor subtype. It acts as a full agonist at this receptor with an EC50 of 3 nM and a binding affinity (Ki) of 6 nM. The compound exhibits high selectivity for the 5-HT1F receptor, possessing little affinity for 56 other serotonergic and non-serotonergic neuronal binding sites examined. This selectivity profile makes it a valuable tool for studying the specific role of 5-HT1F receptors in migraine and other neurological conditions.
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| ln Vitro |
LY 344864 S-enantiomer demonstrates potent agonist activity at the human 5-HT1F receptor with an EC50 of 3 nM and a Ki of 6 nM. The compound displays high selectivity for the 5-HT1F receptor, with negligible affinity for 56 other receptor binding sites. These in vitro characteristics establish LY 344864 S-enantiomer as a highly specific pharmacological tool for 5-HT1F receptor studies. The compound is the S-enantiomer of LY344864 and retains the full agonist activity of the racemic mixture.
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| ln Vivo |
In vivo, LY 344864 S-enantiomer has been investigated in the neurogenic dural inflammation model of migraine. Brain penetration studies demonstrate that after an intravenous dose of 1 mg/kg in rats, plasma LY344864 levels decline with time while brain cortex levels remain relatively constant for the first 6 hours after injection, indicating sustained central nervous system exposure. The compound has been used in preclinical studies to explore migraine signaling pathways and the therapeutic potential of selective 5-HT1F agonists.
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| Enzyme Assay |
Receptor binding assays are performed using membrane preparations from cells expressing human recombinant 5-HT1F receptors. Competitive binding experiments are conducted using [3H]5-HT or other appropriate radioligands. Membranes are incubated with varying concentrations of LY 344864 S-enantiomer and a fixed concentration of radioligand in binding buffer at room temperature or 37degC for a defined incubation period. Nonspecific binding is determined in the presence of excess unlabeled 5-HT or a selective 5-HT1F antagonist. Bound and free radioligands are separated by filtration through glass fiber filters, and radioactivity is measured by scintillation counting to calculate Ki values.
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| Cell Assay |
Cellular functional assays are performed using cells expressing human recombinant 5-HT1F receptors. Cells are cultured and seeded into microplates prior to compound treatment. For agonist activity determination, cells are treated with LY 344864 S-enantiomer at various concentrations, and receptor activation is assessed by measuring second messenger responses such as inhibition of forskolin-stimulated cAMP accumulation or GTPgammaS binding. EC50 values are calculated from concentration-response curves. Selectivity is assessed by testing the compound against a panel of other serotonin receptor subtypes and non-serotonin receptors.
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| Animal Protocol |
In vivo studies are conducted in rodent models of migraine, such as the neurogenic dural inflammation model. LY 344864 S-enantiomer is administered via intravenous or intraperitoneal routes at defined doses. For pharmacokinetic studies, rats receive a 1 mg/kg intravenous dose, and plasma and brain tissue samples are collected at various time points post-administration. Compound concentrations are measured by LC-MS/MS. For efficacy studies, dural inflammation is induced and the ability of LY 344864 S-enantiomer to attenuate inflammatory responses is assessed.
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| ADME/Pharmacokinetics |
Pharmacokinetic studies in rats show that after intravenous administration of 1 mg/kg LY344864, plasma concentrations decline over time with a typical distribution and elimination profile. Importantly, brain cortex levels remain relatively constant for the first 6 hours post-injection, indicating sustained brain penetration and retention despite declining plasma concentrations. This brain-penetrant property is critical for its potential application in central nervous system disorders such as migraine. The compound shows favorable central nervous system exposure.
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| Toxicity/Toxicokinetics |
Comprehensive toxicology data for LY 344864 S-enantiomer are not extensively documented in publicly available sources. The compound is intended for research use only and has not been evaluated in formal toxicology studies for clinical development. As with all research compounds, standard safety precautions should be observed during handling, including the use of appropriate personal protective equipment and adherence to institutional biosafety and chemical hygiene guidelines.
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| References | |
| Additional Infomation |
LY 344864 S-enantiomer is the S-enantiomer of LY344864, a selective 5-HT1F receptor full agonist being studied for migraine and pain modulation. The compound exhibits high selectivity for 5-HT1F receptors with a Ki of 6 nM and EC50 of 3 nM. It demonstrates sustained brain penetration in rat models and has been used extensively as a pharmacological tool to study 5-HT1F receptor function. LY 344864 S-enantiomer is for research purposes only and is not approved for clinical use.
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| Molecular Formula |
C21H22FN3O
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|---|---|
| Molecular Weight |
351.4173
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| Exact Mass |
351.174
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| CAS # |
186544-27-4
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| Related CAS # |
LY 344864;186544-26-3;LY 344864 racemate;186543-64-6;LY 344864 hydrochloride;1217756-94-9
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| PubChem CID |
92460912
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| Appearance |
White to gray solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
471.9±45.0 °C at 760 mmHg
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| Flash Point |
239.2±28.7 °C
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| Vapour Pressure |
0.0±1.2 mmHg at 25°C
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| Index of Refraction |
1.658
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| LogP |
3.43
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
26
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| Complexity |
506
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| Defined Atom Stereocenter Count |
1
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| SMILES |
CN(C)[C@H]1CCC2=C(C1)C3=C(N2)C=CC(=C3)NC(=O)C4=CC=C(C=C4)F
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| InChi Key |
GKWHICIUSVVNGX-INIZCTEOSA-N
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| InChi Code |
InChI=1S/C21H22FN3O/c1-25(2)16-8-10-20-18(12-16)17-11-15(7-9-19(17)24-20)23-21(26)13-3-5-14(22)6-4-13/h3-7,9,11,16,24H,8,10,12H2,1-2H3,(H,23,26)/t16-/m0/s1
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| Chemical Name |
N-[(6S)-6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide
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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 : ~100 mg/mL (~284.56 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 | 2.8456 mL | 14.2280 mL | 28.4560 mL | |
| 5 mM | 0.5691 mL | 2.8456 mL | 5.6912 mL | |
| 10 mM | 0.2846 mL | 1.4228 mL | 2.8456 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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