| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 5mg |
|
||
| 10mg |
|
||
| Other Sizes |
| Targets |
FBnG does not have a specific biological target itself; rather, it is a synthetic intermediate. In natural product biosynthesis, it is a building block incorporated by NRPS/PKS enzymes into the fabrubactin (FBN) peptide. In a research context, it is used to construct AUTAC molecules, which target cellular components for degradation via the autophagy-lysosome pathway. The AUTAC molecule recruits autophagy machinery to a specific protein, leading to its lysosomal degradation. The mechanism is a targeted protein degradation approach.
|
|---|---|
| ln Vitro |
As a synthetic intermediate, FBnG is not directly tested for biological activity (e.g., enzyme inhibition). Its "activity" is measured by its purity (>99% by HPLC) and its utility as a building block in chemical synthesis. It is used to prepare AUTAC4 , a molecule that degrades specific target proteins. The in vitro activity of the final AUTAC molecule is determined by its ability to induce degradation of its target protein in cellular assays, typically with DC₅0 values in the low nanomolar to low micromolar range.
|
| ln Vivo |
There are no direct in vivo activity data for FBnG itself. The in vivo activity of the AUTAC molecule it helps build is evaluated in animal models. For example, an AUTAC targeting a cancer-relevant protein could be tested in a mouse xenograft model. The compound would be administered intraperitoneally or orally at doses ranging from 1-50 mg/kg, and tumor growth inhibition, target protein degradation, and survival would be monitored. FBnG itself is a research tool, not a drug.
|
| Enzyme Assay |
Non-cellular assays are not applicable for direct biological activity. The compound is characterized by standard chemical techniques, including NMR (¹H, ¹3C, ¹⁹F) and HPLC. To confirm its identity and purity, a sample (e.g., 5 mg) is dissolved in DMSO-d₆ or CDCl3 and analyzed on a 400 MHz NMR spectrometer. The presence of the fluorine atom is confirmed by ¹⁹F NMR. HPLC purity is determined using a C18 column with a mobile phase of acetonitrile/water (0.1% TFA) and UV detection at 254 nm.
|
| Cell Assay |
FBnG is not used directly in cell-based assays; it is a synthetic intermediate. To test the activity of the final AUTAC molecule, target-expressing cancer cells (e.g., HeLa or HEK293) are seeded in 96-well plates and treated with the AUTAC at concentrations ranging from 0.1 nM to 10 uM for 16-48 hours. Cell viability is measured by MTT assay. Target protein levels are assessed by Western blot analysis to determine the DC₅0 (concentration for 50% protein degradation). Flow cytometry is used to measure apoptosis.
|
| Animal Protocol |
No in vivo experiments are performed with FBnG itself. For the final AUTAC molecule, a mouse xenograft model is used. Athymic nude mice are injected subcutaneously with target-expressing cancer cells (e.g., 5×10⁶ cells). When tumors reach approximately 150 mm3, mice are randomized into treatment groups (n=8-10). The AUTAC is administered intraperitoneally at doses of 10-50 mg/kg daily for 2-3 weeks. Tumor volume is measured with calipers every 2-3 days, and body weight is monitored. At study endpoint, tumors are excised, weighed, and lysed for Western blot analysis to confirm target degradation.
|
| ADME/Pharmacokinetics |
FBnG (MW 420.42, logP ~2.0) is a solid powder. It is soluble in DMSO (≥10 mg/mL) and DMF. For storage, the powder should be kept at -20degC under an inert atmosphere, protected from light. It is not intended for systemic use. If absorbed, it would likely be metabolized by hepatic enzymes. The half-life is unknown, but as a small molecule, it would be expected to be short (hours). The compound is a biochemical assay reagent, not a drug.
|
| Toxicity/Toxicokinetics |
FBnG has low acute toxicity, but as a research chemical, it should be handled with standard laboratory precautions. It may be a skin and eye irritant (H315, H319). Avoid inhalation of dust (H335). Use fume hood, wear nitrile gloves, lab coat, and safety goggles. The compound is not a known carcinogen or reproductive toxin. For research use only; not for human consumption.
|
| References | |
| Additional Infomation |
FBnG (CAS 2241669-86-1) is a key building block for the synthesis of AUTAC4, an autophagy-targeting chimera developed to degrade specific target proteins via the autophagy-lysosome pathway. This technology is distinct from PROTACs, which use the proteasome. AUTACs have potential for degrading targets inaccessible to the proteasome (e.g., extracellular aggregates, damaged organelles). The compound is a component of non-ribosomal peptide synthetase/polyketide synthase (NRPS/PKS) for fabrubactin biosynthesis. Purity ≥99%. For research use only.
|
| Molecular Formula |
C17H17FN6O4S
|
|---|---|
| Molecular Weight |
420.42
|
| CAS # |
2241669-86-1
|
| Appearance |
White to yellow solid powder
|
| SMILES |
S(CC(C(=O)O)NC(C)=O)C1=NC2C(NC(N)=NC=2N1CC1C=CC(=CC=1)F)=O
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~237.86 mM; with ultrasonication)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.95 mM) (saturation unknown) in 10% DMSO +90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution。
For example, if 1 mL of working solution is to be prepared, You can add 100 μL of the 20.8 mg/mL clear DMSO stock solution to 900 μL corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.3786 mL | 11.8929 mL | 23.7857 mL | |
| 5 mM | 0.4757 mL | 2.3786 mL | 4.7571 mL | |
| 10 mM | 0.2379 mL | 1.1893 mL | 2.3786 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
