| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
5-Bromo-4-chloro-3-indolyl β-D-cellobioside targets β-cellobiosidase and related enzymes that hydrolyze cellobiose linkages. The compound serves as a chromogenic substrate for these enzymes, releasing an indoxyl intermediate that forms an insoluble blue precipitate.
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|---|---|
| ln Vitro |
The in vitro activity of this compound is its function as a chromogenic substrate for β-cellobiosidase. Upon enzymatic cleavage, the substrate releases an indoxyl intermediate that undergoes oxidative dimerization to form an insoluble blue precipitate at the site of enzyme activity, enabling the detection of cellobiosidase activity.
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| ln Vivo |
This compound is not used as a therapeutic agent. Its in vivo utility is limited to research applications involving the detection of cellobiosidase activity in biological samples. The compound is not intended for systemic therapeutic use.
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| Enzyme Assay |
In vitro enzyme assays for this compound involve incubating the chromogenic substrate with β-cellobiosidase enzyme preparations in appropriate buffer conditions. The enzyme cleaves the substrate, releasing an indoxyl intermediate that forms an insoluble blue precipitate. The blue staining indicates the presence of cellobiosidase activity.
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| Cell Assay |
For in vitro cellular experiments, this compound is used in histochemical staining procedures for the detection of cellobiosidase activity. Tissue sections or cellular samples are incubated with the substrate, and the resulting blue precipitate indicates the location of enzyme activity.
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| Animal Protocol |
In vivo animal experiments with this compound are not typically performed, as the compound is primarily used as an in vitro enzyme substrate. The compound is intended for research use only.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of this compound have not been characterized, as it is a research-use chromogenic substrate rather than a drug candidate. The compound should be stored under appropriate conditions, protected from light.
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| Toxicity/Toxicokinetics |
Toxicological data for this compound has not been systematically evaluated, as it is intended for research applications only and not for therapeutic use. Standard laboratory safety precautions should be observed.
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| References | |
| Additional Infomation |
5-Bromo-4-chloro-3-indolyl β-D-cellobioside is a chromogenic substrate for β-cellobiosidase, forming an insoluble blue precipitate at the site of enzyme activity. The compound has no clinical or therapeutic applications.
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| Molecular Formula |
C20H25BRCLNO11
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|---|---|
| Molecular Weight |
570.7696
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| Exact Mass |
569.03
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| CAS # |
177966-52-8
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| PubChem CID |
12001507
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| Appearance |
Typically exists as solid at room temperature
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| LogP |
-0.9
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| Hydrogen Bond Donor Count |
8
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| Hydrogen Bond Acceptor Count |
11
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
34
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| Complexity |
684
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| Defined Atom Stereocenter Count |
10
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| SMILES |
C1=CC2=C(C(=CN2)OC3C(C(C(C(CO)O3)OC4C(C(C(C(CO)O4)O)O)O)O)O)C(=C1Br)Cl
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| InChi Key |
TXCDHJGGJYHESA-OIHNOWRXSA-N
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| InChi Code |
InChI=1S/C20H25BrClNO11/c21-6-1-2-7-11(12(6)22)8(3-23-7)31-19-17(30)15(28)18(10(5-25)33-19)34-20-16(29)14(27)13(26)9(4-24)32-20/h1-3,9-10,13-20,23-30H,4-5H2/t9-,10-,13-,14+,15-,16-,17-,18-,19-,20+/m1/s1
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| Chemical Name |
(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
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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 | 1.7520 mL | 8.7601 mL | 17.5202 mL | |
| 5 mM | 0.3504 mL | 1.7520 mL | 3.5040 mL | |
| 10 mM | 0.1752 mL | 0.8760 mL | 1.7520 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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