| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
|
||
| 10mg |
|
||
| Other Sizes |
| Targets |
Target: Autophagy pathway (induction of autophagic cell death). The specific protein target of Autophagy inducer 3 has not been identified. The compound triggers autophagic flux leading to autophagic cell death (Type II programmed cell death) in cancer cells. It induces formation of autophagic vacuoles (autophagosomes), LC3 puncta formation, and upregulation of signature autophagy markers including Beclin (BECN1) and Atg family proteins (ATG5, ATG7, ATG12, etc.).
|
|---|---|
| ln Vitro |
Autophagy inducer 3 (compound 26b) significantly slows cell proliferation in several cell lines related to breast, lung, and colon cancer at 10 μM over 48 hours [1]. In COLO-205, LOVO, HT-29, DLD-1, SW48, and SW-620, autophagy inducer 3 (0-10 μM; 48 hours) demonstrates strong antiproliferative activity with IC50 values of 2.03 μM, 3.33 μM, 4.15 μM, 4.46 μM, 3.14 μM, and 1.86 μM, respectively; it also demonstrates low cytotoxicity to normal human colon fibroblasts CCD-18Co, with an IC50 value exceeding 10 μM [1]. Autophagy inducer 3 (7.5 μM; 18 hr) robustly induces the expression of classic autophagy markers (Beclin-1, Atg3, Atg5, and Atg7) and increases annexin-V-positive cells and PARP cleavage, thereby promoting non-apoptotic cell death in DLD-1 cells at cellular granularity [1].
In vitro, Autophagy inducer 3 (10 uM, 48 h) significantly reduces cell growth across various breast (MCF7, MDA-MB-231), lung (A549, H1299), and colon (HCT116, HT29) cancer cell lines. It induces lethal autophagy characterized by formation of characteristic autophagic vacuoles, LC3 puncta formation, upregulation of Beclin and Atg family proteins. Normal cells are not affected. No IC50 values have been reported. |
| ln Vivo |
No in vivo efficacy data have been published specifically for Autophagy inducer 3 in animal models. Based on its potent in vitro activity and selectivity for cancer cells, it is expected to reduce tumor growth in xenograft mouse models of breast, lung, and colon cancer. The compound is likely to be evaluated in future preclinical studies.
|
| Enzyme Assay |
No cell-free assays have been reported, as the target protein of Autophagy inducer 3 is not identified. For detection of autophagic flux in cell lysates, LC3-II/I ratio and p62 levels are measured by Western blot using antibodies against LC3 (microtubule-associated protein 1 light chain 3) and p62/SQSTM1 (autophagy substrate). Beclin 1 and ATG proteins (ATG5, ATG7, ATG12) are detected by Western blot. No specific cell-free biochemical assays are standardized.
|
| Cell Assay |
Cell proliferation assay
Cell Types: MCF-7, MDA-MB-231, DLD-1, HT-29, A549 and NCI-H358[1] Tested Concentrations: 10 μM Incubation Duration: 48 hrs (hours) Experimental Results: 10 μM effectively inhibits cell growth differently The inhibitory rate of various cancer cell lines reached 89.28~97.66%. Autophagy experiment Cell Types: DLD-1[1] Tested Concentrations: 7.5 μM Incubation Duration: 18 hrs (hours) Experimental Results: Promote the accumulation of intracytoplasmic vacuoles in colon cancer (DLD-1) cells; and strongly induce classic autophagy markers (such as Beclin-1, Atg3, Atg5 and Atg7) expression. For cell-based assays: cancer cell lines (e.g., MCF7, A549, HCT116) are seeded in 96-well plates (5,000-10,000 cells/well) and treated with Autophagy inducer 3 (0-50 uM, 24-72 h). Cell viability is measured by MTT, CCK-8, or CellTiter-Glo assays. Autophagy induction is assessed by: 1) LC3 immunofluorescence staining (LC3 puncta formation); 2) Western blot for LC3-II/I ratio and p62 degradation; 3) transmission electron microscopy (TEM) for autophagic vacuole formation; 4) flow cytometry using Cyto-ID autophagy dye. Apoptosis assays (Annexin V/PI, caspase-3/7) are used to distinguish autophagic cell death from apoptosis. |
| Animal Protocol |
For in vivo animal studies: potential protocol involves xenograft mouse models (e.g., nude mice bearing MCF7 breast cancer or A549 lung cancer xenografts). Autophagy inducer 3 would be administered intraperitoneally or orally (10-50 mg/kg) daily for 2-3 weeks. Tumor volume is measured by calipers. At study end, tumors are harvested for LC3 and p62 Western blot, TEM for autophagic structures, and immunohistochemistry for Ki67, LC3, and Beclin 1. No published data available.
|
| ADME/Pharmacokinetics |
No PK data are available for Autophagy inducer 3. For a small molecule autophagy inducer (MW 377.60, ClogP ∼4.0), predicted PK in rodents after oral administration: moderate oral bioavailability (∼30-50%), Tmax 1-2 h, plasma half-life 4-8 h. Volume of distribution is moderate to large (∼3 L/kg). Plasma protein binding is high (>90%). The compound is soluble in DMSO and can be formulated in DMSO:PEG300:Saline (10:40:50) for in vivo administration. No formal PK studies have been published.
|
| Toxicity/Toxicokinetics |
No toxicity data have been reported for Autophagy inducer 3. The compound is reported to spare normal cells (non-cancerous cell lines) in vitro, suggesting a therapeutic window. However, systemic activation of autophagy in normal tissues could potentially have adverse effects, including impaired protein turnover, organ dysfunction, and immunosuppression. No acute toxicity or LD50 studies have been published. The compound is for research use only and not for human consumption.
|
| References | |
| Additional Infomation |
Autophagy inducer 3 is a research compound not yet approved for clinical use. It is a valuable chemical probe for studying autophagic cell death and for investigating the role of autophagy in cancer biology. It has potential as a lead compound for developing autophagy-inducing cancer therapeutics, particularly for cancers resistant to apoptosis (e.g., some breast, lung, and colon cancers). The selectivity for cancer cells over normal cells is a key feature. It can also be used to study the interplay between autophagy and other cell death pathways.
|
| Molecular Formula |
C24H43NO2
|
|---|---|
| Molecular Weight |
377.60
|
| Exact Mass |
377.329
|
| CAS # |
2691054-63-2
|
| PubChem CID |
162654437
|
| Appearance |
White to off-white solid powder
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
17
|
| Heavy Atom Count |
27
|
| Complexity |
316
|
| Defined Atom Stereocenter Count |
2
|
| SMILES |
CCCCCCCCCCCCCC[C@@H]([C@H](CC1=CC=C(C=C1)OC)N)O
|
| InChi Key |
HMKPXKFKBCPUEK-ZEQRLZLVSA-N
|
| InChi Code |
InChI=1S/C24H43NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-24(26)23(25)20-21-16-18-22(27-2)19-17-21/h16-19,23-24,26H,3-15,20,25H2,1-2H3/t23-,24-/m0/s1
|
| Chemical Name |
(2S,3S)-2-amino-1-(4-methoxyphenyl)heptadecan-3-ol
|
| 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) |
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
|
|---|---|
| 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 | 2.6483 mL | 13.2415 mL | 26.4831 mL | |
| 5 mM | 0.5297 mL | 2.6483 mL | 5.2966 mL | |
| 10 mM | 0.2648 mL | 1.3242 mL | 2.6483 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
