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| ln Vitro |
The compound was evaluated for cytotoxic activity in a panel of isogenic HCT-116 human colon tumor cell lines using an MTT assay. It showed very weak cytotoxicity with IC50 values greater than 177 μM in both p53+/+ and p53-/- cell lines. No activity was observed at the highest tested concentration. p21+/+ and p21-/- cell lines were not tested (n.t.). [1]
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| Cell Assay |
The cytotoxic activity was assessed in HCT-116 colon carcinoma cell lines using the MTT (3-[4,5-dimethylthiazol-2-yl]-2,5-diphenyltetrazolium bromide) method. Cells were seeded in 96-well plates at 3000 cells per well in 200 μL of culture medium and allowed to adhere for 24 hours. The medium was then aspirated and replaced with 180 μL of fresh medium. Cells were treated with 20 μL of test compound solution dissolved in 10% DMSO in PBS. After 72 hours of incubation, the medium was aspirated, 100 μL of fresh medium was added, followed by 11 μL of MTT (2.5 mg/mL). Plates were incubated for an additional 4 hours, then the medium was aspirated, and 100 μL of DMSO was added to each well to dissolve the reduced formazan. Absorbance was measured at 570 nm using a plate reader. Percent survival was determined by comparing test well absorbance to the average absorbance of DMSO-only control wells. All samples were tested in quadruplicate. The compound was tested in isogenic HCT-116 cell lines including p53 knockout (p53-/-), p53 wild-type (p53+/+), p21 knockout (p21-/-), and p21 wild-type (p21+/+), but only the p53+/+ and p53-/- lines showed quantifiable results (IC50 > 177 μM). p21 cell lines were not tested (n.t.). [1]
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| References | |
| Additional Infomation |
(S)-2-amino-3-(5-bromo-1H-indol-3-yl)propionic acid has been reportedly found in sponges, and relevant data are available.
5-Bromo-L-tryptophan (1) was isolated as a natural product for the first time in this study, although it had been synthesized previously. It was obtained from the Philippine marine sponge Smenospongia sp. The compound was produced as a diet methionine from corresponding indole derivative and serine catalyzed by Achromobacter petrophilum in earlier synthetic work. The structure was established by spectroscopic methods including UV, IR, 1D and 2D NMR, MS, and optical rotation. This is the first report of bromotryptophans from the genus Smenospongia. [1] |
| Molecular Formula |
C11H11BRN2O2
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|---|---|
| Molecular Weight |
283.12
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| Exact Mass |
282
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| CAS # |
25197-99-3
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| PubChem CID |
644329
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| Appearance |
Off-white to light brown solid powder
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| Density |
1.7±0.1 g/cm3
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| Boiling Point |
495.8±45.0 °C at 760 mmHg
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| Flash Point |
253.7±28.7 °C
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| Vapour Pressure |
0.0±1.3 mmHg at 25°C
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| Index of Refraction |
1.718
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| LogP |
1.89
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
16
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| Complexity |
275
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| Defined Atom Stereocenter Count |
1
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| SMILES |
C1=CC2=C(C=C1Br)C(=CN2)C[C@@H](C(=O)O)N
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| InChi Key |
KZDNJQUJBMDHJW-VIFPVBQESA-N
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| InChi Code |
InChI=1S/C11H11BrN2O2/c12-7-1-2-10-8(4-7)6(5-14-10)3-9(13)11(15)16/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m0/s1
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| Chemical Name |
5-Bromo-L-tryptophan
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| Synonyms |
5-BrW 5 BrW 5BrW
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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 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.) |
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| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.5321 mL | 17.6604 mL | 35.3207 mL | |
| 5 mM | 0.7064 mL | 3.5321 mL | 7.0641 mL | |
| 10 mM | 0.3532 mL | 1.7660 mL | 3.5321 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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