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| 5mg |
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| Targets |
Bruceantinol targets STAT3 (signal transducer and activator of transcription 3), a transcription factor involved in cell proliferation, survival, and angiogenesis. Bruceantinol strongly inhibits STAT3 DNA-binding ability with an IC₅₀ of 2.4 pM. It blocks the constitutive and IL-6-induced STAT3 activation and suppresses transcription of MCL-1, PTTG1, survivin, and c-Myc.
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| ln Vitro |
In vitro, Bruceantinol has antiviral activity and inhibits pepper mottle virus. It shows antibabesial activity against Babesia gibsoni with an IC₅₀ of 12 ng/mL. It is a STAT3 inhibitor with potent antitumor activity in human colorectal cancer (CRC) models. It strongly inhibits STAT3 DNA-binding ability (IC₅₀ = 2.4 pM).
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| ln Vivo |
In vivo, Bruceantinol demonstrates potent antitumor activity in human colorectal cancer (CRC) models. It inhibits tumor cell proliferation by interfering with microtubule assembly and disrupting cell division. It has potential therapeutic applications in treating various types of cancer, including breast, lung, and prostate cancer.
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| Enzyme Assay |
Bruceantinol's STAT3 inhibition activity has been characterized using DNA-binding assays. The compound inhibits STAT3 DNA-binding ability with an IC₅₀ of 2.4 pM. It blocks constitutive and IL-6-induced STAT3 activation. Binding and activity assays are performed using purified STAT3 protein or cell-based systems.
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| Cell Assay |
In vitro cell experiments with Bruceantinol use human colorectal cancer cell lines to assess antitumor activity. Cells are treated with the compound at various concentrations, and cell viability, STAT3 activation, and downstream target gene expression are assessed.
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| Animal Protocol |
In vivo animal studies with Bruceantinol have been conducted using human colorectal cancer xenograft models. The compound demonstrates potent antitumor activity. It is typically administered via injection. Detailed protocols regarding dosage and treatment duration are available in the literature.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for Bruceantinol are limited in the available literature. As a quassinoid with a molecular weight of 606.61 g/mol, the compound may have limited oral bioavailability. Further pharmacokinetic studies are needed.
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| Toxicity/Toxicokinetics |
Bruceantinol is considered safe for research use at typical concentrations. As a research compound, it is intended for laboratory use only and not for human consumption. The compound should be handled under standard laboratory safety practices.
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| References | |
| Additional Infomation |
Bruceantinol is a triterpenoid compound. It has been reported that Java Bruceantinol exists in Java bruciol, and relevant data are available for reference.
Bruceantinol has a molecular weight of 606.61 g/mol. It has antiviral activity and inhibits pepper mottle virus. It shows antibabesial activity against Babesia gibsoni with an IC₅₀ of 12 ng/mL. It is a STAT3 inhibitor with potent antitumor activity in human colorectal cancer models. |
| Molecular Formula |
C30H38O13
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|---|---|
| Molecular Weight |
606.61492
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| Exact Mass |
606.231
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| CAS # |
53729-52-5
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| PubChem CID |
5281305
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| Appearance |
White to light yellow solid powder
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| LogP |
0.838
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
13
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
43
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| Complexity |
1360
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| Defined Atom Stereocenter Count |
10
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| SMILES |
CC1=C(C(=O)C[C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@H]([C@@H]([C@]([C@@H]4[C@H](C(=O)O3)OC(=O)/C=C(\C)/C(C)(C)OC(=O)C)(OC5)C(=O)OC)O)O)C)O
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| InChi Key |
SREUSBYRKOPNJK-AJPRWBMOSA-N
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| InChi Code |
InChI=1S/C30H38O13/c1-12(27(4,5)43-14(3)31)8-18(33)42-21-23-29-11-40-30(23,26(38)39-7)24(36)20(35)22(29)28(6)10-16(32)19(34)13(2)15(28)9-17(29)41-25(21)37/h8,15,17,20-24,34-36H,9-11H2,1-7H3/b12-8+/t15-,17+,20+,21+,22+,23+,24-,28-,29+,30-/m0/s1
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| Chemical Name |
methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-3-[(E)-4-acetyloxy-3,4-dimethylpent-2-enoyl]oxy-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
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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 | 1.6485 mL | 8.2425 mL | 16.4851 mL | |
| 5 mM | 0.3297 mL | 1.6485 mL | 3.2970 mL | |
| 10 mM | 0.1649 mL | 0.8243 mL | 1.6485 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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