| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
Chlorhexidine impurity 1 is a degradation product and has no significant antibacterial activity. The parent drug, chlorhexidine, targets the microbial cell membrane. As a cationic biguanide, it binds electrostatically to the negatively charged phosphate groups on the bacterial cell wall. This disrupts the cell membrane integrity, causing leakage of intracellular components and cell death. Chlorhexidine impurity 1 (also known as Chlorhexidine EP Impurity B) is a urea derivative. It is monitored because it may have different toxicity or stability profiles compared to the active pharmaceutical ingredient (API).
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|---|---|
| ln Vitro |
Chlorhexidine impurity 1 is not a drug and has no direct in vitro biological activity. It is an organic impurity. It is not typically evaluated in standard enzyme inhibition or cell viability assays. It can be used as a reference standard to study the stability of chlorhexidine solutions. It is a potential degradant formed under stress conditions (heat, light, pH). The compound may be used to assess the specificity and sensitivity of the HPLC method for chlorhexidine. Specific IC₅0 values are not available.
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| ln Vivo |
Chlorhexidine impurity 1 is not used as a drug. In vivo, it is not formed in the body; it is a chemical impurity in the manufactured drug product. Regulatory agencies (EP, USP) set limits for this impurity (usually < 0.1-0.5%) in pharmaceutical formulations. It is used as a reference standard to ensure that batches of chlorhexidine gluconate or dihydrochloride meet quality specifications. No therapeutic in vivo activity is reported.
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| Enzyme Assay |
Not applicable. Chlorhexidine impurity 1 is a chemical reference standard, not a standard enzyme inhibitor. Its purity (>98-99.9%) is assessed by HPLC with UV detection at 254 nm using a C18 reverse-phase column. The mobile phase is a gradient of phosphate buffer (pH 2.5) and acetonitrile. The structure is confirmed by ¹H NMR and ¹3C NMR (in DMSO-d₆) and mass spectrometry (ESI-MS, expected [M+H]+ m/z 396). No biological assays are applicable.
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| Cell Assay |
Not applicable. Chlorhexidine impurity 1 is not used in standard cell-based assays. For toxicity screening, HepG2 or HEK293 cells are seeded in 96-well plates (1×10⁴ cells/well) and treated with Chlorhexidine impurity 1 (1-1000 uM) for 24-72 h. Cell viability is measured by MTT assay. The CC₅0 is expected to be > 200 uM. The compound is used as an analytical standard for quality control (QC) in the pharmaceutical industry.
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| Animal Protocol |
No in vivo animal protocol for Chlorhexidine impurity 1 exists. For the safety evaluation of chlorhexidine drug products, Sprague-Dawley rats (n=20/group) are administered chlorhexidine (containing known levels of the impurity) orally or dermally for 28 days. The tissue distribution and clearance of the impurity are not typically measured separately. The compound is used to spike chlorhexidine samples to validate the specificity of the analytical method for detecting the impurity in stability studies.
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| ADME/Pharmacokinetics |
Not applicable. Chlorhexidine impurity 1 is a solid powder. It is not a drug and is not intended for in vivo administration. It is stable at 2-8degC. It is soluble in DMSO and slightly soluble in water. It is a reference standard for pharmaceutical analysis. No pharmacokinetic data is available.
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| Toxicity/Toxicokinetics |
For Chlorhexidine impurity 1, hazard statements: H315 (Causes skin irritation), H319 (Causes serious eye irritation), H335 (May cause respiratory irritation). Signal word: Warning. Precautionary statements: P261 (Avoid breathing dust/fume/gas/mist/vapors/spray), P280 (Wear protective gloves/protective clothing/eye protection/face protection), P305+P351+P338 (IF IN EYES: Rinse cautiously with water for several minutes). Storage: at 4degC, sealed, in a tightly sealed container. For research use only (RUO).
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| References | |
| Additional Infomation |
Chlorhexidine impurity 1 (Chlorhexidine EP Impurity B; CAS# 1308292-89-8) is a research-grade pharmaceutical impurity standard. It is not an FDA-approved drug. It is used for quality control (QC) and analytical method development (AMV) for the antiseptic drug chlorhexidine. For research use only, not for diagnostic or therapeutic applications.
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| Molecular Formula |
C16H26CLN9O
|
|---|---|
| Molecular Weight |
395.89
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| Exact Mass |
395.195
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| CAS # |
1308292-89-8
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| PubChem CID |
131667686
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| Appearance |
Typically exists as solids at room temperature
|
| Hydrogen Bond Donor Count |
6
|
| Rotatable Bond Count |
11
|
| Heavy Atom Count |
27
|
| Complexity |
542
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C1=CC(=CC=C1N/C(=N/C(=NCCCCCCN=C(N)NC(=O)N)N)/N)Cl
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| InChi Key |
LATUPHDTTULFOL-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C16H26ClN9O/c17-11-5-7-12(8-6-11)24-15(20)25-13(18)22-9-3-1-2-4-10-23-14(19)26-16(21)27/h5-8H,1-4,9-10H2,(H5,18,20,22,24,25)(H5,19,21,23,26,27)
|
| Chemical Name |
[N'-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]carbamimidoyl]urea
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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 | 2.5260 mL | 12.6298 mL | 25.2595 mL | |
| 5 mM | 0.5052 mL | 2.5260 mL | 5.0519 mL | |
| 10 mM | 0.2526 mL | 1.2630 mL | 2.5260 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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