Chlorobutanol hemihydrate
Based on 1 Customer Validation
Chlorobutanol hemihydrate is an antimicrobial agent with oral activity, also possessing preservative effects. Chlorobutanol hemihydrate exhibits resistance to a variety of Gram-positive and Gram-negative bacteria, as well as several fungal spores and fungi, and is widely used in the food and cosmetics industries.
For research use only. We do not sell to patients.
- Purity: 98.0%
- CAS No.: 6001-64-5
- Formula: C4H7Cl3O.1/2H2O
- Molecular Weight:186.46
-
Storage:Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 6 months , -20°C, 1 month
To place orders, for customer services and technical support, please contact: MedChemExpress USA
Tel: 609-228-6898 E-mail: [email protected] [email protected]
-
Biological Activity
-
Chemical Information
-
Solvent & Solubility
- Purity & Documentation
- References
-
Help & FAQs
-
Bioactive Compound Library Max
HY-L181
-
Bioactive Compound Library
HY-L001
-
Anti-Infection Compound Library
HY-L002
-
Clinical Compound Library
HY-L026
-
Drug Repurposing Compound Library
HY-L035
-
Antifungal Compound Library
HY-L048
-
Antibacterial Compound Library
HY-L049
-
Orally Active Compound Library
HY-L061
-
Antibiotics Library
HY-L067
-
Inactive Ingredient Library
HY-L096
-
Human Metabolite Library
HY-L123
-
Anti-Drug-Resistant Compound Library
HY-L169
-
Drug Repurposing Compound Library Plus
HY-L035P
-
Clinical Compound Library Plus
HY-L026P
-
High-Throughput Bioactive Compound Library
HY-L205
All Antibiotic Isoforms
More
Biological Activity
Chlorobutanol (1 mg/mL, 10-30min) hemihydrate significantly inhibits the amylase release induced by CCK-8 or carbachol (HY-B1208) in rat pancreatic acinar cells[4]. Chlorobutanol (312.5-5000 µg/mL, 48 hours) hemihydrate exhibits good antimicrobial effects, with MIC values of 1250 µg/mL for Escherichia coli, Staphylococcus aureus, and Pseudomonas aeruginosa, and 2500 µg/mL for Candida albicans and Aspergillus niger[5].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
-
Animal Model:Male and female specific-pathogen-free Crl:CD Sprague Dawley (SD) rats (5 weeks old)[3]
-
Dosage:12.5, 25, 50, 100 mg/kg (28-day repeated dose) or 62.5, 125, 250 mg/kg (single dose)
-
Administration:Oral gavage (p.o.), once daily for 28 days or single dose
-
Result:Caused the death of one female rat in the high-dose (single dose, 250 mg/kg) group two days after administration. Significantly decreased body weight in female rats on Day 7 but the body weight recovered thereafter. Induced pathological changes in the liver and kidneys, and aused the appearance of hyaline droplets in the kidneys in male mice(100 mg/kg).
| NCT Number | Sponsor | Condition | Start Date |
Phase
|
|---|---|---|---|---|
| NCT01329991 | Plexxikon| | 2011-05 | PHASE1 |
Chemical Information
-
CAS No. 6001-64-5
-
Appearance Solid
-
Molecular Weight 186.46
-
Formula C4H7Cl3O.1/2H2O
-
Color White to yellow
-
SMILES
CC(O)(C)C(Cl)(Cl)Cl.O.[1/2]
-
Shipping
Room temperature in continental US; may vary elsewhere.
-
Storage
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Solvent & Solubility
DMSO : 100 mg/mL (536.31 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
Select the appropriate dissolution method based on your experimental animal and administration route.
- For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
- To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for In Vivo experiments, it is recommended to prepare freshly and use it on the same day.
- The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.
Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: ≥ 2.5 mg/mL (13.41 mM); Clear solution
This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)
Solubility: ≥ 2.5 mg/mL (13.41 mM); Clear solution
This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.
Please enter the basic information of animal experiments:
-
-
-
-
Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.
Please enter your animal formula composition:
-
%DMSO +
Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
-
%+
-
+%Tween-80 + +
-
%Saline +
The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).
Working solution concentration: 0.22 mg/mL
Method for preparing stock solution: mg drug dissolved in μL DMSO. Stock solution concentration: mg/mL.
1. Take μL DMSO stock solution;
2. Add μL .
μL , mix evenly;
3. Then add μL Tween 80, mix evenly;
4. Then add μL
Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.
Purity & Documentation
-
Data Sheet (278 KB)
-
SDS (392 KB)
- English - EN (392 KB)
- Français - FR (392 KB)
- Deutsch - DE (392 KB)
- Norwegian - NO (392 KB)
- Español - ES (392 KB)
- Swedish - SV (392 KB)
- Italian - IT (392 KB)
- Korean - KR (392 KB)
- Portuguese - PT (392 KB)
-
Handling Instructions (2659 KB)
References
[1]. Smoak IW, et al. Chlorobutanol: maternal serum levels and placental transfer in the mouse. Vet Hum Toxicol. 1997 Oct;39(5):287-90. [Content Brief]
[2]. Friesen WT, et al. The antibacterial stability of chlorobutanol stored in polyethylene bottles. Am J Hosp Pharm. 1971 Jul;28(7):507-12. [Content Brief]
[3]. Jeong D, et al. In Vivo Evaluation of the Oral Toxicity of the Chlorobutanol. Toxics. 2022 Jan 7;10(1):24. [Content Brief]
[4]. Habara Y, et al. Dual effects of chlorobutanol on secretory response and intracellular Ca2+ dynamics in isolated pancreatic acini of the rat. Br J Pharmacol. 1993 Jul;109(3):685-92. [Content Brief]
Complete Stock Solution Preparation Table
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
| Optional Solvent | Concentration Solvent Mass | 1 mg | 5 mg | 10 mg | 25 mg |
|---|---|---|---|---|---|
| DMSO | 1 mM | 5.3631 mL | 26.8154 mL | 53.6308 mL | 134.0770 mL |
| 5 mM | 1.0726 mL | 5.3631 mL | 10.7262 mL | 26.8154 mL | |
| 10 mM | 0.5363 mL | 2.6815 mL | 5.3631 mL | 13.4077 mL | |
| 15 mM | 0.3575 mL | 1.7877 mL | 3.5754 mL | 8.9385 mL | |
| 20 mM | 0.2682 mL | 1.3408 mL | 2.6815 mL | 6.7039 mL | |
| 25 mM | 0.2145 mL | 1.0726 mL | 2.1452 mL | 5.3631 mL | |
| 30 mM | 0.1788 mL | 0.8938 mL | 1.7877 mL | 4.4692 mL | |
| 40 mM | 0.1341 mL | 0.6704 mL | 1.3408 mL | 3.3519 mL | |
| 50 mM | 0.1073 mL | 0.5363 mL | 1.0726 mL | 2.6815 mL | |
| 60 mM | 0.0894 mL | 0.4469 mL | 0.8938 mL | 2.2346 mL | |
| 80 mM | 0.0670 mL | 0.3352 mL | 0.6704 mL | 1.6760 mL | |
| 100 mM | 0.0536 mL | 0.2682 mL | 0.5363 mL | 1.3408 mL |
Chlorobutanol hemihydrate Related Classifications
HY-W089856 Related Classifications
Powered by Bioz