| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
ClpB-IN-1 targets ClpB, a bacterial protein disaggregase that is essential for the survival of certain bacteria under stress conditions. ClpB is involved in the reactivation of aggregated proteins, contributing to bacterial thermotolerance and virulence. By inhibiting ClpB, the compound disrupts protein homeostasis in bacterial cells, leading to growth inhibition and increased susceptibility to environmental stress.
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| ln Vitro |
In vitro activity of ClpB-IN-1 is demonstrated by its potent inhibition of ClpB, making it a potential antimicrobial agent. The compound shows antibacterial activity against susceptible bacterial strains by disrupting protein disaggregation and thermotolerance. Its activity is typically assessed in bacterial growth inhibition assays, where it exhibits concentration-dependent inhibition of bacterial proliferation.
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| ln Vivo |
In vivo activity of ClpB-IN-1 has not been extensively documented. As a potent ClpB inhibitor with antibacterial properties, it has potential for in vivo efficacy in animal models of bacterial infection. However, further in vivo studies are needed to evaluate its pharmacokinetic properties, antibacterial efficacy, and safety profile. The compound is intended for research use only.
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| Enzyme Assay |
In vitro enzyme assays for ClpB-IN-1 involve measuring its inhibition of ClpB ATPase or protein disaggregation activity. The assay typically uses purified recombinant ClpB protein and measures ATP hydrolysis or the reactivation of aggregated substrate proteins in the presence of the compound. IC50 values can be determined from dose-response curves generated in these enzymatic assays.
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| Cell Assay |
In vitro cellular assays for ClpB-IN-1 involve culturing bacterial cells in the presence of varying concentrations of the compound and measuring bacterial growth inhibition using optical density measurements or colony counting. The compound's ability to inhibit ClpB function in cells can be assessed by evaluating bacterial survival under heat stress or other conditions that require ClpB activity.
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| Animal Protocol |
In vivo animal experiments for ClpB-IN-1 are not extensively documented. If used in animal models of bacterial infection, typical protocols would involve administering the compound to infected animals and evaluating efficacy by measuring bacterial load in tissues or survival rates. The compound's pharmacokinetic properties and therapeutic potential would be assessed in these studies.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for ClpB-IN-1 are limited. The compound has a molecular weight of 302.37 and a molecular formula of C14H10N2O2S2. It is soluble in DMSO at 4.5 mg/mL (14.88 mM) with sonication and heating to 60°C. Powder should be stored at -20°C for up to 3 years, and solutions at -80°C for up to 1 year. Its absorption, distribution, metabolism, and excretion properties have not been characterized.
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| Toxicity/Toxicokinetics |
Toxicological data for ClpB-IN-1 are limited. As a research compound, comprehensive toxicological studies have not been reported. The compound is intended for research use only and is not for human therapeutic application. Standard laboratory safety precautions should be followed when handling this compound.
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| References |
[1]. Martin I, et, al. Screening and evaluation of small organic molecules as ClpB inhibitors and potential antimicrobials. J Med Chem. 2013 Sep 26;56(18):7177-89.
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| Additional Infomation |
ClpB-IN-1 (CAS#: 1453172-23-0) has the molecular formula C14H10N2O2S2 and a molecular weight of 302.37. Its SMILES is C=CCN1C(=S)S\C(C1=O)=C1/C(=O)Nc2ccccc12. The compound is a potent ClpB inhibitor and potential antimicrobial agent used in antibacterial research. It is for research use only.
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| Exact Mass |
302.018
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|---|---|
| CAS # |
1453172-23-0
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| PubChem CID |
1370080
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| Appearance |
Brown to reddish brown solid powder
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
20
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| Complexity |
696
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C=CCN1C(=C(SC1=S)C2=C3C=CC=CC3=NC2=O)O
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| InChi Key |
GXJJIBDJRDXPGU-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C14H10N2O2S2/c1-2-7-16-13(18)11(20-14(16)19)10-8-5-3-4-6-9(8)15-12(10)17/h2-6,18H,1,7H2
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| Chemical Name |
3-(4-hydroxy-3-prop-2-enyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one
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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 : 5 mg/mL (16.54 mM)
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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.) |
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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