| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| 50mg | |||
| 100mg | |||
| Other Sizes |
| Targets |
The active form of Cefotiam hexetil hydrochloride, Cefotiam, targets penicillin-binding proteins (PBPs) located on the inner membrane of the bacterial cell wall. PBPs are essential enzymes involved in the final stages of bacterial cell wall synthesis, specifically the cross-linking of peptidoglycan chains. By binding to and inhibiting these PBPs, Cefotiam disrupts cell wall synthesis, leading to the formation of defective cell walls, osmotic instability, and ultimately bacterial cell lysis and death. As a second-generation cephalosporin, Cefotiam has a broader spectrum of activity against Gram-negative organisms compared to first-generation cephalosporins.
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|---|---|
| ln Vitro |
In vitro, Cefotiam hexetil hydrochloride itself does not have antibacterial activity; it is the prodrug that must be converted to the active Cefotiam. The compound is therefore used in research to study the efficiency of the prodrug conversion process and to understand the pharmacodynamics of the active drug. The antibacterial activity of the active moiety, Cefotiam, is assessed using standard susceptibility testing methods against a range of Gram-positive and Gram-negative organisms, including Haemophilus influenzae and Enterobacteriaceae. The minimum inhibitory concentration (MIC) is determined to evaluate its potency.
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| ln Vivo |
In vivo, Cefotiam hexetil hydrochloride is administered orally and is absorbed from the gastrointestinal tract. It is then hydrolyzed to the active Cefotiam. The active drug is distributed throughout the body and is used clinically to treat respiratory tract, urinary tract, and soft tissue infections. In research settings, the compound is used in animal models to study its pharmacokinetics, efficacy against susceptible pathogens, and to investigate bacterial resistance mechanisms. Its role in studying the stability and activity of cephalosporins against β-lactamase-producing bacteria is particularly important.
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| Enzyme Assay |
For in vitro antibacterial susceptibility testing, the prodrug Cefotiam hexetil hydrochloride is typically not tested directly. Instead, the active form, Cefotiam, is used. Standard procedures recommended by the Clinical and Laboratory Standards Institute (CLSI) are followed. Bacterial strains are cultured on appropriate agar media and suspended to a 0.5 McFarland standard. The bacterial suspension is inoculated onto Mueller-Hinton agar plates or into broth containing serial two-fold dilutions of Cefotiam. After incubation, the MIC is determined. For studies on the prodrug itself, its stability and conversion rate can be assessed in simulated gastric fluid or in the presence of esterases.
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| Cell Assay |
For in vitro cell-based assays, the antibacterial activity of Cefotiam can be evaluated using cell culture models of infection. Mammalian cell lines (e.g., epithelial cells) are infected with bacterial pathogens in the presence of varying concentrations of the drug. After incubation, bacterial counts are determined. Cytotoxicity of the prodrug or the active drug to mammalian cells can be assessed using standard assays. The prodrug conversion can also be studied in cell culture models by measuring the appearance of Cefotiam in the medium.
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| Animal Protocol |
For in vivo animal studies, Cefotiam hexetil hydrochloride is typically administered orally in rodent models of infection. The compound's efficacy is evaluated against systemic or localized infections caused by susceptible pathogens. Pharmacokinetic studies are performed to measure the concentration of the prodrug and the active Cefotiam in plasma and tissues over time. The compound's effectiveness in reducing bacterial load and improving survival rates is assessed. Studies have also been conducted to determine the blood concentration of Cefotiam and its metabolite cyclohexanol in vivo.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Cefotiam hexetil hydrochloride: As an oral prodrug, it is designed to be absorbed from the gastrointestinal tract. After absorption, esterases hydrolyze the prodrug to release the active Cefotiam. The pharmacokinetics of the active drug, Cefotiam, are characterized by its distribution, metabolism, and excretion. Cefotiam is eliminated primarily by the kidneys. Detailed pharmacokinetic parameters such as Cmax, Tmax, half-life, and bioavailability have been studied in clinical and preclinical settings.
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| Toxicity/Toxicokinetics |
Cefotiam hexetil hydrochloride is generally well-tolerated. As a cephalosporin, it can cause allergic reactions in individuals with a history of hypersensitivity to penicillins or other cephalosporins. The compound is used in research and is not intended for human use in a research setting. Standard laboratory safety precautions should be observed when handling the compound.
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| Additional Infomation |
Cefotiam hexetil dihydrochloride is the dihydrochloride of Cefotiam hexetil 1-(cyclohexyloxycarbonyloxy)ethyl ester. It is used as a prodrug of Cefotiam hexetil. It is both an antibacterial drug and a prodrug. It contains Cefotiam hexetil dihydrochloride. It is functionally related to Cefotiam hexetil. Cefotiam hexetil dihydrochloride is the hydrochloride of Cefotiam hexetil dihydrochloride, an ester prodrug of Cefotiam hexetil dihydrochloride, used for parenteral administration. Cefotiam hexetil is a semi-synthetic β-lactam cephalosporin antibiotic with antibacterial activity. After administration, the ester bond in Cefotiam hexetil dihydrochloride breaks, releasing the active Cefotiam hexetil.
Cefotiam hexetil hydrochloride is a research compound that is the hydrochloride salt of the prodrug of the antibiotic Cefotiam. It is used in non-clinical research to study bacterial resistance mechanisms and prodrug pharmacodynamics. The compound is particularly useful for studying how structural modifications affect the stability and activity of cephalosporins against β-lactamase-producing bacteria. It is commercially available from chemical suppliers for research purposes only. |
| Molecular Formula |
C27H39CL2N9O7S3
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|---|---|
| Molecular Weight |
768.75600
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| Exact Mass |
525.103
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| CAS # |
95789-30-3
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| Related CAS # |
Cefotiam hydrochloride;66309-69-1
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| PubChem CID |
175647
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.8±0.1 g/cm3
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| Melting Point |
120-130°C
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| Index of Refraction |
1.855
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| LogP |
0.24
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
16
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| Rotatable Bond Count |
16
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| Heavy Atom Count |
48
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| Complexity |
1160
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| Defined Atom Stereocenter Count |
2
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| SMILES |
C(C1=C(CSC2=NN=NN2CCN(C)C)CS[C@@H]2[C@@H](C(N12)=O)NC(=O)CC1=CSC(N)=N1)(=O)OC(C)OC(=O)OC1CCCCC1.Cl
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| InChi Key |
FFSANQNELHESQJ-LWBICVDYSA-N
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| InChi Code |
InChI=1S/C27H37N9O7S3.2ClH/c1-15(42-27(40)43-18-7-5-4-6-8-18)41-24(39)21-16(13-46-26-31-32-33-35(26)10-9-34(2)3)12-44-23-20(22(38)36(21)23)30-19(37)11-17-14-45-25(28)29-17;;/h14-15,18,20,23H,4-13H2,1-3H3,(H2,28,29)(H,30,37);2*1H/t15?,20-,23-;;/m1../s1
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| Chemical Name |
1-cyclohexyloxycarbonyloxyethyl (6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-[[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;dihydrochloride
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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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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 : ~250 mg/mL (~325.20 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (2.71 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.08 mg/mL (2.71 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (2.71 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.3008 mL | 6.5040 mL | 13.0080 mL | |
| 5 mM | 0.2602 mL | 1.3008 mL | 2.6016 mL | |
| 10 mM | 0.1301 mL | 0.6504 mL | 1.3008 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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