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| Other Sizes |
| Targets |
LJ-001 targets viral membranes rather than specific viral proteins. As a lipophilic thiazolidine derivative, it intercalates into the lipid bilayer of enveloped viruses. Upon photoactivation, it generates singlet oxygen (1O2), which oxidizes unsaturated lipids in the viral membrane, compromising membrane integrity and preventing viral entry into host cells. This membrane-targeting mechanism provides broad-spectrum activity against virtually all enveloped RNA and DNA viruses, including HIV, HCV, influenza, Ebola, smallpox, and bat viruses.
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| ln Vitro |
For ST cells, LJ001 (0.782–200 μM; 24 h) exhibits a CC50 value of 146.4 μM and no discernible cytotoxicity[1]. Porcine delta coronavirus (PDCoV) and transmissible gastroenteritis virus (TGEV) infection are inhibited by LJ001 (12.5 µM; 12, 24 h) [1]. LJ001 (12.5 µM; 1, 6, 12, and 24 hours) decreases the expression of the TGEV and PDCoV genes in ST cells [1]. Certain enveloped viruses, such as the hepatitis C virus (HCV), poxviruses, arenaviruses, influenza, Ebola, and human immunodeficiency virus (HIV), are inhibited by LJ001 in their ability to enter and propagate [1].
In vitro, LJ-001 (12.5 µM) decreases TGEV N and PDCoV N-protein expression as well as gene mRNA expression in ST cells in a time-dependent manner. It shows inhibitory activity against HIV, HCV, influenza, Ebola, smallpox, and bat viruses. These in vitro activities confirm its broad-spectrum antiviral mechanism. The compound's ability to inhibit infection of various enveloped viruses demonstrates its potential as a broad-spectrum antiviral agent. |
| ln Vivo |
Mice treated with LJ001 (20, 50 mg/kg; intraperitoneal injection or oral gavage; daily for 7 days) did not exhibit any toxicity [2].
In vivo, in female BALB/c mice, oral gavage and intraperitoneal injection of LJ-001 (20-50 mg/kg) shows no toxicity except for a slight increase in serum cholesterol levels. This indicates that the compound is well-tolerated at these doses. Detailed in vivo efficacy data against viral infections are not extensively reported in the available literature. The compound's oral bioavailability and broad-spectrum activity make it a promising candidate for further development. |
| Enzyme Assay |
Non-cell-based assays for LJ-001 are not typical, as its mechanism involves targeting viral membranes rather than specific proteins. Membrane binding studies may be performed using liposomes or model membranes to assess the compound's interaction with lipid bilayers. Singlet oxygen generation can be measured using chemical probes that react with singlet oxygen. Virus inactivation assays can be performed by incubating viruses with the compound and measuring residual infectivity.
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| Cell Assay |
Cell Viability Assay[1]
Cell Types: ST cells Tested Concentrations: 0.782, 1.563, 3.125, 6.25, 12.5, 25, 50, 100, 200 μM Incubation Duration: 24 h Experimental Results: demonstrated slight cytotoxicity with a CC50 value of 146.4 μM. Western Blot Analysis [1] Cell Types: ST Cell Tested Concentrations: 12.5 µM Incubation Duration: 12, 24 hrs (hours) Experimental Results: The expression of TGEV N protein and PDCoV N protein was diminished at 24 hrs (hours), and the TCID50 titer was Dramatically diminished at 12 hrs (hours) and 24 hrs (hours). RT-PCR[1] Cell Types: ST Cell Tested Concentrations: 12.5 µM Incubation Duration: 1, 6, 12, 24 hrs (hours) Experimental Results: Inhibition of TGEV and PDCoV gene mRNA expression in a time-dependent manner. Cellular assays for LJ-001 utilize virus-infected cell lines such as ST cells infected with TGEV or PDCoV. Cells are treated with the compound at various concentrations (e.g., 12.5 µM) for specified durations. Viral protein expression is assessed by Western blotting, and viral mRNA levels are measured by qPCR. Virus yield is quantified by plaque assay or TCID50. The compound's ability to inhibit viral infection and replication is determined. |
| Animal Protocol |
Animal/Disease Models: Female balb/c (Bagg ALBino) mouse[2]
Doses: 20, 50 mg/kg Route of Administration: po (oral gavage) or intraperitoneal (ip) injection; one time/day for 7 days Experimental Results: Compared with the vehicle control group, except for serum cholesterol levels, which were slightly Except for the increase, no abnormalities were found. In vivo animal models for LJ-001 include BALB/c mice for toxicity studies. Mice are treated with the compound via oral gavage or intraperitoneal injection at doses of 20-50 mg/kg. Toxicity is assessed by monitoring body weight, serum chemistry (including cholesterol), and histopathological examination of organs. For efficacy studies, viral challenge models in mice would be used, but detailed protocols are not extensively reported in the available literature. |
| ADME/Pharmacokinetics |
Pharmacokinetic properties of LJ-001 include a molecular weight of 327.42 g/mol and molecular formula C17H13NO2S2. CAS number is 851305-26-5. The compound is orally active. It is soluble in DMSO at 3.28 mg/mL (10.02 mM). Purity is not specified. Storage conditions: powder at -20°C for 3 years; in solvent at -80°C for 1 year. Detailed PK parameters such as half-life and bioavailability are not extensively reported.
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| Toxicity/Toxicokinetics |
In female BALB/c mice, LJ-001 shows no toxicity at 20-50 mg/kg except for a slight increase in serum cholesterol levels. Detailed toxicological data are not extensively reported. As a research compound, its safety profile would need to be established through standard preclinical toxicity assessments. The compound is supplied for research use only. Its membrane-targeting mechanism suggests potential for off-target effects on host cell membranes.
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| References | |
| Additional Infomation |
LJ-001 is also known as LJ001 and LJ 001. It has CAS number 851305-26-5. It is a broad-spectrum and orally active antiviral agent. It is a lipophilic thiazolidine derivative that targets viral membranes rather than viral proteins. It shows activity against virtually all enveloped RNA and DNA viruses. It inhibits TGEV and PDCoV infection. Upon photoactivation, it generates singlet oxygen that oxidizes viral membrane lipids. It is for research use only.
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| Molecular Formula |
C17H13NO2S2
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| Molecular Weight |
327.41
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| Exact Mass |
327.038
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| CAS # |
851305-26-5
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| PubChem CID |
2272467
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| Appearance |
Yellow to orange solid powder
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
477.3±55.0 °C at 760 mmHg
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| Flash Point |
242.5±31.5 °C
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| Vapour Pressure |
0.0±1.2 mmHg at 25°C
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| Index of Refraction |
1.705
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| LogP |
4.14
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
22
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| Complexity |
497
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C=CCN1C(=O)/C(=C/C2=CC=C(O2)C3=CC=CC=C3)/SC1=S
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| InChi Key |
YAIFLEPRFXXIFQ-PTNGSMBKSA-N
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| InChi Code |
InChI=1S/C17H13NO2S2/c1-2-10-18-16(19)15(22-17(18)21)11-13-8-9-14(20-13)12-6-4-3-5-7-12/h2-9,11H,1,10H2/b15-11-
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| Chemical Name |
(5Z)-5-[(5-phenylfuran-2-yl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
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| Synonyms |
LJ001; LJ 001; LJ-001
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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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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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 | 3.0543 mL | 15.2714 mL | 30.5427 mL | |
| 5 mM | 0.6109 mL | 3.0543 mL | 6.1085 mL | |
| 10 mM | 0.3054 mL | 1.5271 mL | 3.0543 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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