| Size | Price | Stock | Qty |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| 250mg |
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| 500mg |
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| Other Sizes |
| Targets |
The molecular targets of CGP-4540 are not fully characterized, but based on its functional groups, it may interact with various enzymes and proteins. The nitro group may be reduced by nitroreductases to generate reactive intermediates that can alkylate DNA or proteins, potentially leading to antimicrobial or anticancer effects. The isothiocyanate group is known to react with thiol groups in proteins, including cysteine residues, which can inhibit enzyme activity or modulate protein function. The secondary amine may interact with receptors or enzymes through hydrogen bonding and electrostatic interactions. The compound may target enzymes involved in redox balance, DNA repair, or cell signaling. Specific target identification for CGP-4540 would require further experimental studies using biochemical and cell-based assays.
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| ln Vitro |
In vitro activity of CGP-4540 has not been extensively characterized in the available literature. As a compound containing nitro, isothiocyanate, and amine functional groups, CGP-4540 would be expected to exhibit various biological activities. The compound may have antimicrobial activity through the generation of reactive species or through the inhibition of essential microbial enzymes. The compound may have anticancer activity through the induction of apoptosis or inhibition of cell proliferation. The compound may have anti-inflammatory activity through the modulation of inflammatory pathways. The compound's activity would be assessed using various in vitro assays, including antimicrobial susceptibility testing, cell proliferation assays, enzyme inhibition assays, and anti-inflammatory assays. Specific IC50 and MIC values for CGP-4540 are not provided in the available literature, and further studies would be needed to fully characterize its in vitro activity profile.
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| ln Vivo |
In vivo activity of CGP-4540 has not been extensively reported in the available literature. As a bioactive compound with potential antimicrobial, anticancer, and anti-inflammatory activities, CGP-4540 would be expected to show efficacy in animal models of infection, cancer, and inflammation. The compound's in vivo efficacy would depend on its pharmacokinetic properties, including oral bioavailability, tissue distribution, and metabolic stability. The compound's isothiocyanate group is highly reactive and may be rapidly metabolized or cleared, which could affect its in vivo activity. Specific in vivo data are not provided in the available literature, and further studies would be needed to evaluate the compound's therapeutic potential.
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| Additional Infomation |
Amoscarbate is an isothiocyanate, specifically a phenyl isothiocyanate in which the para-hydrogen is replaced by a 4-nitroaniline group. It is a schistosomiasis-killing agent. It is a C-nitro compound, an isothiocyanate, and a secondary amine compound. Its function is similar to that of diphenylamine.
CGP-4540 (CAS# 100990-46-3) is a C-nitro compound, isothiocyanate, and secondary amino compound (Amoscanate) with a molecular formula of C13H9N3O2S and a molecular weight of 271.29 g/mol. Future research could focus on characterizing the compound's biological activities, identifying its molecular targets, evaluating its in vivo efficacy in animal models, and developing it as a potential therapeutic for infectious, neoplastic, and inflammatory diseases. |
| Molecular Formula |
C13H9N3O2S
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|---|---|
| Molecular Weight |
271.294461011887
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| Exact Mass |
271.041
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| CAS # |
100990-46-3
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| PubChem CID |
33488
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| Appearance |
Typically exists as solid at room temperature
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| LogP |
5.2
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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 |
3
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| Heavy Atom Count |
19
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| Complexity |
349
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
DKVNAGXPRSYHLB-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C13H9N3O2S/c17-16(18)13-7-5-12(6-8-13)15-11-3-1-10(2-4-11)14-9-19/h1-8,15H
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| Chemical Name |
4-isothiocyanato-N-(4-nitrophenyl)aniline
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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 | 3.6861 mL | 18.4305 mL | 36.8609 mL | |
| 5 mM | 0.7372 mL | 3.6861 mL | 7.3722 mL | |
| 10 mM | 0.3686 mL | 1.8430 mL | 3.6861 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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