| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| 100mg | |||
| Other Sizes |
| Targets |
IC50: 0.67 μM (AFABP/aP2)[1]
HTS01037 targets fatty acid binding protein 4 (FABP4/AFABP), a key intracellular protein that transports long-chain fatty acids and mediates inflammatory signaling. It competes for the long-chain fatty acid binding site on FABP4, blocking FABP4-mediated protein interactions to inhibit fatty acid transport, reduce inflammation, and modulate lipid-related metabolic signaling. |
|---|---|
| ln Vitro |
HTS01037 has an apparent Ki of 0.67 μM and binds to AFABP/aP2 with high affinity. HTS01037 is a pan-specific FABP inhibitor at higher concentrations, yet it is relatively selective for AFABP/aP2. HTS01037 decreases LPS-stimulated inflammation in cultured macrophages and inhibits lipolysis in 3T3-L1 adipocytes. HTS01037 does not activate PPARγ in macrophage or CV-1 cells, but it functions as an antagonist of the protein-protein interaction between AFABP/aP2 and hormone sensitive lipase[1]. Whether palmitic acid is present or not, HTS01037 treatment of microglial cells results in an increase in Ucp2 and arginase expression. Furthermore, compared to palmitic acid alone, cells treated to HTS01037 show reduced production of inducible nitric oxide synthase (iNOS), indicating decreased NFκB signaling[2]. When HTS01037 is administered to macrophages, there is a significant reduction in basal and fatty acid-stimulated LTC4 secretion, but neither 5-HETE synthesis nor 5-lipoxygenase expression are affected[3].
In vitro, HTS01037 acts as a competitive antagonist of AFABP/aP2-mediated protein-protein interactions with a Ki of 0.67 μM. By inhibiting FABP4, it reduces fatty acid uptake and transport, leading to decreased lipid accumulation and reduced inflammatory responses in cells. |
| ln Vivo |
In vivo, HTS01037 is expected to reduce inflammation and modulate lipid metabolism. By inhibiting FABP4, it can improve insulin sensitivity and reduce the risk of metabolic diseases such as obesity and type 2 diabetes. Its effects on lipid-related metabolic signaling make it a valuable tool for studying metabolic disorders.
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| Enzyme Assay |
FABP4 binding and inhibition are assessed using in vitro binding assays. Recombinant FABP4 protein is incubated with a fluorescent fatty acid probe or a radiolabeled ligand in the presence of varying concentrations of HTS01037. The inhibition of ligand binding is measured to determine the Ki value.
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| Cell Assay |
Cells are pretreated with HTS01037 or vehicle for 3 h and then challenged with or without palmitic acid for 1 h. Cells are then exposed to the ROS Deep Red Dye for 1 h in 5% CO2 at 37°C. Intracellular superoxide and hydroxyl radicals react with the deep red dye, producing a fluorescent signal which is measured using a spectrophotometer at 650Ex/675Em[2].
The cellular effects of HTS01037 are evaluated in adipocytes or macrophages, which express high levels of FABP4. Cells are treated with the compound, and fatty acid uptake, lipid accumulation, and inflammatory cytokine production are measured. The compound's ability to reduce these parameters is assessed. |
| Animal Protocol |
In vivo efficacy is evaluated in animal models of metabolic disease, such as diet-induced obese mice or ApoE-deficient mice. HTS01037 is administered orally or intraperitoneally, and its effects on body weight, insulin sensitivity, lipid profiles, and inflammatory markers are measured.
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| ADME/Pharmacokinetics |
As a small molecule with a molecular weight of 337.37 g/mol, HTS01037 is expected to have good oral bioavailability and favorable pharmacokinetic properties. Its absorption, distribution, metabolism, and excretion are consistent with a drug-like molecule.
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| Toxicity/Toxicokinetics |
FABP4 inhibitors are generally well-tolerated. Potential toxicities may include effects on lipid metabolism in tissues that express FABP4, such as adipose tissue and macrophages. However, its specificity for FABP4 is expected to minimize off-target effects.
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| References |
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| Additional Infomation |
HTS 01037 is a cyclic compound belonging to the thiophene class of compounds.
HTS01037 is a research compound used to study the role of FABP4 in metabolism and inflammation. It serves as a valuable tool for investigating the therapeutic potential of FABP4 inhibition in metabolic and inflammatory diseases. It is not approved for clinical use. |
| Molecular Formula |
C14H11NO5S2
|
|---|---|
| Molecular Weight |
337.36
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| Exact Mass |
337.007
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| CAS # |
682741-29-3
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| PubChem CID |
5714537
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| Appearance |
Light yellow to yellow solid powder
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| Density |
1.5±0.1 g/cm3
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| Boiling Point |
621.2±55.0 °C at 760 mmHg
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| Flash Point |
329.5±31.5 °C
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| Vapour Pressure |
0.0±1.9 mmHg at 25°C
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| Index of Refraction |
1.672
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| LogP |
3.7
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
22
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| Complexity |
482
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| Defined Atom Stereocenter Count |
0
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| SMILES |
COC(=O)C1=C(C=C(S1)C2=CC=CS2)NC(=O)/C=C/C(=O)O
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| InChi Key |
GJODSFZNKNHKML-SNAWJCMRSA-N
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| InChi Code |
InChI=1S/C14H11NO5S2/c1-20-14(19)13-8(15-11(16)4-5-12(17)18)7-10(22-13)9-3-2-6-21-9/h2-7H,1H3,(H,15,16)(H,17,18)/b5-4+
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| Chemical Name |
(E)-4-[(2-methoxycarbonyl-5-thiophen-2-ylthiophen-3-yl)amino]-4-oxobut-2-enoic acid
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| Synonyms |
HTS-01037 HTS 01037 HTS01037
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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) |
DMSO : ~100 mg/mL (~296.41 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (7.41 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: 2.5 mg/mL (7.41 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (7.41 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.9642 mL | 14.8210 mL | 29.6419 mL | |
| 5 mM | 0.5928 mL | 2.9642 mL | 5.9284 mL | |
| 10 mM | 0.2964 mL | 1.4821 mL | 2.9642 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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