| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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| 100mg |
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| 250mg | |||
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| Other Sizes |
| Targets |
LX-1031 targets tryptophan 5-hydroxylase (TPH), the rate-limiting enzyme in serotonin biosynthesis. By inhibiting TPH, the compound reduces the synthesis of serotonin (5-HT) in the periphery. This is particularly relevant for conditions such as diarrhea-predominant irritable bowel syndrome (IBS-D), where elevated peripheral serotonin levels contribute to symptoms.
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| ln Vitro |
In vitro, LX-1031 acts as a potent inhibitor of tryptophan 5-hydroxylase (TPH). It reduces serotonin synthesis in peripheral tissues. Detailed in vitro potency data (IC₅₀ values) is limited in publicly available sources.
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| ln Vivo |
In comparison to the control group, the mean decrease in 5-HT in the jejunum was roughly 33%, 51%, and 66% at dosages of 15, 45, and 135 mg/kg/day, respectively, following oral administration of LX-1031 to mice. According to a preliminary report, LX-1031 at 100 mg/kg per day had reversible effects on 5-HT levels in the mice's jejunal mucosa within two days after stopping the medication [1]. In preclinical tests, LX-1031 dose-dependently decreased 5-HT expression in the ileum, jejunum, and duodenum but had no effect on brain 5-HT levels [2].
In vivo, LX-1031 is orally available and reduces peripheral serotonin levels. It has been studied for the potential treatment of irritable bowel syndrome (IBS). The compound's ability to reduce 5-HT levels makes it a candidate for treating IBS-D and other conditions associated with elevated peripheral serotonin. |
| Enzyme Assay |
Non-cellular enzyme assays for LX-1031 involve measuring tryptophan 5-hydroxylase (TPH) inhibition. The enzyme is incubated with tryptophan (substrate) and varying concentrations of LX-1031. Serotonin production is measured by HPLC or ELISA. IC₅₀ values are calculated from inhibition curves.
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| Cell Assay |
In vitro cellular experiments involve cells that express TPH and produce serotonin. Cells are treated with LX-1031 at various concentrations. Serotonin levels in the culture medium are measured by ELISA or HPLC. TPH activity is assessed by measuring serotonin production.
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| Animal Protocol |
In vivo animal studies involve rodent models of IBS or other conditions associated with elevated peripheral serotonin. LX-1031 is administered orally. Peripheral serotonin levels are measured in blood or intestinal tissue. Efficacy is assessed by measuring gastrointestinal symptoms or other relevant endpoints.
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| ADME/Pharmacokinetics |
LX-1031 is orally available. It has a molecular weight of 538.52 g/mol and a molecular formula of C₂₈H₂₅F₃N₄O₄. The compound is soluble in DMSO.
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| Toxicity/Toxicokinetics |
The target of protein binding is an enzyme that is mainly found in the gastrointestinal tract.
Specific toxicity data for LX-1031 is limited. As a TPH inhibitor, it is expected to have on-target effects related to serotonin reduction. The compound is for research purposes only and should be handled with appropriate safety precautions. |
| References |
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| Additional Infomation |
LX1031 is an oral drug candidate for the treatment of irritable bowel syndrome (IBS) and other gastrointestinal disorders. Developed by medicinal chemists at Lexicon, LX1031 targets a key control point internally identified as regulating peripheral serotonin levels. LX1031 is designed to exert its effects locally in the gastrointestinal tract by reducing serotonin available for receptor activation, without affecting serotonin levels in the brain or central nervous system function.
Drug Indications Irritable Bowel Syndrome (IBS) and Other Gastrointestinal DisordersMechanism of Action LX1031 is designed to exert its effects locally in the gastrointestinal tract by reducing serotonin available for receptor activation, without affecting serotonin levels in the brain or central nervous system function. Indications Irritable Bowel Syndrome (IBS) and Other Gastrointestinal Disorders Mechanism of Action LX1031 is designed to exert its effects locally in the gastrointestinal tract by reducing serotonin available for receptor activation, without affecting serotonin levels in the brain or central nervous system function. LX-1031 is a potent, orally available inhibitor of tryptophan 5-hydroxylase (TPH) that reduces peripheral serotonin synthesis. It is being developed for the potential treatment of irritable bowel syndrome (IBS) and other conditions associated with elevated peripheral serotonin levels. This product is for research purposes only and is not for human therapeutic use. |
| Molecular Formula |
C28H25F3N4O4
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|---|---|
| Molecular Weight |
538.5272
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| Exact Mass |
538.182
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| CAS # |
945976-76-1
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| PubChem CID |
23633604
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| Appearance |
Light yellow to yellow solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
715.6±70.0 °C at 760 mmHg
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| Flash Point |
386.6±35.7 °C
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| Vapour Pressure |
0.0±2.4 mmHg at 25°C
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| Index of Refraction |
1.608
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| LogP |
5.36
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
11
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| Rotatable Bond Count |
9
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| Heavy Atom Count |
39
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| Complexity |
774
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| Defined Atom Stereocenter Count |
2
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| SMILES |
COC1=CC=CC(=C1)C2=CC=C(C=C2)[C@H](C(F)(F)F)OC3=NC(=NC(=C3)C4=CC=C(C=C4)C[C@@H](C(=O)O)N)N
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| InChi Key |
XNMUICFMGGQSMZ-WIOPSUGQSA-N
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| InChi Code |
InChI=1S/C28H25F3N4O4/c1-38-21-4-2-3-20(14-21)17-9-11-19(12-10-17)25(28(29,30)31)39-24-15-23(34-27(33)35-24)18-7-5-16(6-8-18)13-22(32)26(36)37/h2-12,14-15,22,25H,13,32H2,1H3,(H,36,37)(H2,33,34,35)/t22-,25+/m0/s1
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| Chemical Name |
(2S)-2-amino-3-[4-[2-amino-6-[(1R)-2,2,2-trifluoro-1-[4-(3-methoxyphenyl)phenyl]ethoxy]pyrimidin-4-yl]phenyl]propanoic acid
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| Synonyms |
LX1031; LX 1031; LX-1031
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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 : ≥ 34 mg/mL (~63.14 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.64 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 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 (4.64 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 25.0 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: ≥ 2.5 mg/mL (4.64 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 | 1.8569 mL | 9.2845 mL | 18.5691 mL | |
| 5 mM | 0.3714 mL | 1.8569 mL | 3.7138 mL | |
| 10 mM | 0.1857 mL | 0.9285 mL | 1.8569 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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