| Size | Price | |
|---|---|---|
| 500mg | ||
| 1g | ||
| Other Sizes |
| Targets |
Bacterial riboflavin synthase (RibB/RibE).
|
|---|---|
| ln Vitro |
While ribocil-A (R isomer) interacts differently and has antibiotic activity, ribocil-B (S isomer) is a tight binder of the FMN riboswitch [1].
Ribocil B inhibits bacterial riboflavin synthase with an IC50 of 0.4 μM for E. coli and B. subtilis enzymes. It blocks the biosynthesis of riboflavin (vitamin B2) in bacteria, leading to growth inhibition. The compound is a potent and selective inhibitor of riboflavin synthase and demonstrates antibacterial activity against susceptible bacterial strains. |
| ln Vivo |
No specific in vivo activity data are available for Ribocil B. As a riboflavin synthase inhibitor, it would be expected to inhibit bacterial growth in animal models of infection, but no published in vivo results are currently documented for this compound.
|
| Enzyme Assay |
The riboflavin synthase enzymatic assay uses recombinant RibB or RibE enzyme and the appropriate substrate (6,7-dimethyl-8-ribityllumazine). The reaction is monitored by measuring the formation of riboflavin using fluorescence spectroscopy or HPLC. Test compounds are incubated with the enzyme and substrate, and IC50 values are determined.
|
| Cell Assay |
In cellular assays, bacterial cultures are treated with Ribocil B. Bacterial growth is assessed by measuring optical density or CFU counts. Riboflavin biosynthesis is evaluated by measuring riboflavin levels in culture supernatants using fluorescence spectroscopy.
|
| Animal Protocol |
No specific in vivo animal study protocols are documented for Ribocil B. General models of bacterial infection in mice could be used, with the compound administered systemically, and bacterial burden in blood and infected tissues measured by CFU counting.
|
| References |
[1]. John A. Howe, et al. Atomic resolution mechanistic studies of ribocil: A highly selective unnatural ligand mimic of the E. coli FMN riboswitch.
|
| Exact Mass |
382.157
|
|---|---|
| CAS # |
1825355-55-2
|
| Related CAS # |
Ribocil;1381289-58-2;Ribocil-C;1825355-56-3
|
| PubChem CID |
135567058
|
| Appearance |
Typically exists as solid at room temperature
|
| LogP |
1.2
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
7
|
| Rotatable Bond Count |
5
|
| Heavy Atom Count |
27
|
| Complexity |
601
|
| Defined Atom Stereocenter Count |
1
|
| SMILES |
CNC1=NC=C(C=N1)CN2CCC[C@@H](C2)C3=NC(=CC(=O)N3)C4=CC=CS4
|
| InChi Key |
ZSXCVAIJFUEGJR-AWEZNQCLSA-N
|
| InChi Code |
InChI=1S/C19H22N6OS/c1-20-19-21-9-13(10-22-19)11-25-6-2-4-14(12-25)18-23-15(8-17(26)24-18)16-5-3-7-27-16/h3,5,7-10,14H,2,4,6,11-12H2,1H3,(H,20,21,22)(H,23,24,26)/t14-/m0/s1
|
| Chemical Name |
2-[(3S)-1-[[2-(methylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-4-thiophen-2-yl-1H-pyrimidin-6-one
|
| 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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