| Size | Price | Stock | Qty |
|---|---|---|---|
| 100mg |
|
||
| 500mg | |||
| Other Sizes |
| Targets |
Plasmodium
The primary target of SpdSyn binder-1 is Plasmodium falciparum spermidine synthase (SpdSyn), an enzyme involved in polyamine biosynthesis. The compound is a weak binder that binds in the active site of the enzyme. Spermidine synthase is essential for parasite growth and survival. Inhibition of this enzyme represents a potential antimalarial strategy. |
|---|---|
| ln Vitro |
In vitro studies have characterized SpdSyn binder-1 as a weak binder to P. falciparum spermidine synthase. The compound shows partial inhibition of malaria parasite growth. Specific IC₅₀ values have not been extensively reported in the available literature. The compound serves as a valuable research tool for studying polyamine metabolism.
|
| ln Vivo |
In vivo activity of SpdSyn binder-1 has not been extensively reported. The compound is a research tool used in malaria studies. Animal model studies evaluating its in vivo efficacy have not been published. Further studies are needed to assess its therapeutic potential.
|
| Enzyme Assay |
For spermidine synthase binding assays, recombinant P. falciparum spermidine synthase is incubated with SpdSyn binder-1. Binding affinity is measured using surface plasmon resonance, isothermal titration calorimetry, or fluorescence-based assays. For enzyme inhibition assays, enzyme activity is measured in the presence of the compound.
|
| Cell Assay |
For in vitro cell-based studies, P. falciparum parasites are cultured in human erythrocytes and treated with serial dilutions of SpdSyn binder-1. Parasite growth is assessed by measuring [³H]-hypoxanthine incorporation or by fluorescence-based methods. Cytotoxicity against mammalian cells is assessed in parallel.
|
| Animal Protocol |
In vivo animal studies for SpdSyn binder-1 have not been extensively reported. The compound is a research tool for malaria studies. Animal model studies have not been published. Further studies are needed to assess its in vivo efficacy.
|
| ADME/Pharmacokinetics |
Pharmacokinetic properties of SpdSyn binder-1 have not been extensively characterized. As a small molecule with a molecular weight of 346.43 g/mol, it is expected to have reasonable membrane permeability. The compound is soluble in DMSO. Specific PK parameters have not been reported.
|
| Toxicity/Toxicokinetics |
Toxicological data for SpdSyn binder-1 are limited. As a research compound, standard toxicological studies have not been extensively published. Cytotoxicity against mammalian cell lines may be assessed in parallel with activity studies.
|
| References |
[1]. Micael Jacobsson, et al. Identification of Plasmodium falciparum spermidine synthase active site binders through structure-based virtual screening. J Med Chem. 2008 May 8;51(9):2777-86.
|
| Additional Infomation |
SpdSyn binder-1 is a research compound for malaria studies. It is a weak binder that binds to the active site of P. falciparum spermidine synthase. The compound serves as a valuable research tool for studying polyamine metabolism, cancer cell proliferation, and potential antimicrobial strategies. No clinical trials have been reported.
|
| Molecular Formula |
C21H22N4O
|
|---|---|
| Exact Mass |
346.179
|
| CAS # |
251106-30-6
|
| PubChem CID |
2095207
|
| Appearance |
Typically exists as solid at room temperature
|
| LogP |
2.9
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
4
|
| Heavy Atom Count |
26
|
| Complexity |
494
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)N=CN4
|
| InChi Key |
OHZGXXXQMBAXGH-QPJJXVBHSA-N
|
| InChi Code |
InChI=1S/C21H22N4O/c26-21(18-8-9-19-20(15-18)23-16-22-19)25-13-11-24(12-14-25)10-4-7-17-5-2-1-3-6-17/h1-9,15-16H,10-14H2,(H,22,23)/b7-4+
|
| Chemical Name |
3H-benzimidazol-5-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| 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
|
|---|---|
| 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.) |
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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