| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
|
||
| 10mg | |||
| Other Sizes |
| Targets |
FASN-IN-5 targets fatty acid synthase (FASN), a multifunctional enzyme that catalyzes the de novo synthesis of long-chain fatty acids from acetyl-CoA and malonyl-CoA. FASN is overexpressed in many cancers and plays a crucial role in tumor growth and survival by providing lipids for membrane synthesis and energy production. By inhibiting FASN, FASN-IN-5 disrupts lipid metabolism in cancer cells and modulates TH17- and CSF1-mediated disease mechanisms.
|
|---|---|
| ln Vitro |
FASN-IN-5 is a selective inhibitor of fatty acid synthase (FASN), demonstrating significant biological activity in modulating TH17- and CSF1-mediated disease mechanisms, including various cancers, immunological disorders, and obesity. It is used in cancer and metabolic disease research. The compound's inhibition of FASN disrupts lipid metabolism, which is crucial for tumor growth and survival. Specific IC50 values and detailed activity data are not extensively documented.
|
| ln Vivo |
In vivo activity data for FASN-IN-5 are not extensively detailed. As a FASN inhibitor, it is expected to exhibit antitumor and metabolic effects in animal models by disrupting lipid metabolism. The compound can be used for the research of TH17- or CSF1-mediated disease or disorder such as cancer, immunological disorders, and obesity. Specific in vivo efficacy studies and animal model data are not specified in the public domain.
|
| Enzyme Assay |
The in vitro enzyme assay for FASN-IN-5 typically involves measuring the inhibition of FASN enzymatic activity. Recombinant FASN enzyme is incubated with varying concentrations of FASN-IN-5 (typically 0.001-100 µM) in the presence of substrates (acetyl-CoA, malonyl-CoA, and NADPH). The enzymatic activity is measured by monitoring the oxidation of NADPH spectrophotometrically at 340 nm. The IC50 value is determined by plotting the percentage of inhibition against compound concentration.
|
| Cell Assay |
In vitro cellular assays for FASN-IN-5 typically involve treating cancer cell lines with the compound at concentrations ranging from 0.001 to 10 µM for 24-72 hours. Cell viability is assessed using MTT, CCK-8, or CellTiter-Glo assays. Lipid synthesis is assessed by measuring fatty acid incorporation using radiolabeled acetate. TH17 cell differentiation and CSF1-mediated signaling can be assessed using appropriate cell models. The compound is dissolved in DMSO as a stock solution and diluted in cell culture medium.
|
| Animal Protocol |
In vivo animal studies for FASN-IN-5 are not extensively documented. For potential in vivo applications, the compound could be administered to mice via oral gavage or intraperitoneal injection at doses determined from preliminary studies. Tumor xenograft models, obesity models, or immunological disease models could be used to evaluate efficacy. Tumor growth, body weight, and metabolic parameters are monitored. Lipid metabolism and FASN activity in tissues would be assessed.
|
| ADME/Pharmacokinetics |
FASN-IN-5 has a molecular weight of 462.54 g/mol and formula C29H26N4O2. The compound is soluble in DMSO and other organic solvents. Recommended storage is typically -20°C for powder and -80°C for solvent. Detailed PK parameters such as half-life, Cmax, AUC, and bioavailability would require experimental determination. The compound's molecular weight and structural features suggest it may have moderate oral bioavailability.
|
| Toxicity/Toxicokinetics |
FASN-IN-5 is intended for research use only and is not approved for human therapeutic applications. As a FASN inhibitor targeting lipid metabolism, the compound may affect normal metabolic processes, which could contribute to potential toxicity. Standard preclinical toxicity assessments would include acute toxicity studies in rodents, repeated-dose toxicity studies, and assessment of off-target effects. Appropriate safety precautions should be taken when handling.
|
| References | |
| Additional Infomation |
FASN-IN-5 (CAS 1309805-49-9) is a selective inhibitor of fatty acid synthase (FASN) with a molecular weight of 462.54 g/mol and formula C29H26N4O2. It is also known as example 11. FASN-IN-5 can be used for the research of TH17- or CSF1-mediated diseases such as cancer, immunological disorders, and obesity. The compound is not approved for clinical use.
|
| Molecular Formula |
C29H26N4O2
|
|---|---|
| Molecular Weight |
462.542346477509
|
| Exact Mass |
462.205
|
| CAS # |
1309805-49-9
|
| PubChem CID |
57519543
|
| Appearance |
Off-white to light yellow solid powder
|
| LogP |
4.3
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
5
|
| Heavy Atom Count |
35
|
| Complexity |
766
|
| Defined Atom Stereocenter Count |
1
|
| SMILES |
O=C(C1CC1)N1CC[C@@H](CN2C(C3C=CC(C4C=CC5=C(C=CO5)C=4)=CC=3)=NC3C=NC=CC2=3)C1
|
| InChi Key |
MXQGGBTXHJSPPG-LJQANCHMSA-N
|
| InChi Code |
InChI=1S/C29H26N4O2/c34-29(22-5-6-22)32-13-10-19(17-32)18-33-26-9-12-30-16-25(26)31-28(33)21-3-1-20(2-4-21)23-7-8-27-24(15-23)11-14-35-27/h1-4,7-9,11-12,14-16,19,22H,5-6,10,13,17-18H2/t19-/m1/s1
|
| Chemical Name |
[(3S)-3-[[2-[4-(1-benzofuran-5-yl)phenyl]imidazo[4,5-c]pyridin-1-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone
|
| 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 : ~200 mg/mL (~432.40 mM)
|
|---|---|
| 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 | 2.1620 mL | 10.8099 mL | 21.6198 mL | |
| 5 mM | 0.4324 mL | 2.1620 mL | 4.3240 mL | |
| 10 mM | 0.2162 mL | 1.0810 mL | 2.1620 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
