| Size | Price | Stock | Qty |
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| 1mg |
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| Other Sizes |
| Targets |
Notum pectinacetylesterase-1 targets Notum pectinacetylesterase, an enzyme that plays a critical role in the modulation of Wnt signaling and bone metabolism. The compound is a potent inhibitor with an IC₅₀ of less than 0.025 μM. By inhibiting Notum pectinacetylesterase, the compound may enhance Wnt signaling, which is important for bone formation and maintenance. This makes it a valuable tool for studying bone disorders and potential therapeutic approaches for conditions such as osteoporosis.
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| ln Vitro |
In vitro, Notum pectinacetylesterase-1 demonstrates potent inhibition of Notum pectinacetylesterase with an IC₅₀ of less than 0.025 μM. This high potency makes it an effective tool for studying the role of Notum in Wnt signaling and bone metabolism. The compound's activity has been characterized in enzymatic assays measuring the hydrolysis of pectin substrates. Its potent inhibitory activity allows for detailed mechanistic studies of Notum function in various biological contexts.
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| ln Vivo |
In vivo activity data for Notum pectinacetylesterase-1 are limited in the published literature. The compound has been primarily characterized through in vitro enzyme inhibition studies. Given its potent inhibition of Notum pectinacetylesterase, which is involved in Wnt signaling and bone metabolism, potential in vivo studies could include rodent models of bone disorders such as osteoporosis. However, such studies have not been extensively reported. Further research is needed to evaluate its in vivo efficacy and pharmacokinetics.
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| Enzyme Assay |
In vitro enzyme inhibition assays for Notum pectinacetylesterase-1 involve measuring the activity of Notum pectinacetylesterase in the presence of varying concentrations of the inhibitor. The enzyme is incubated with a suitable substrate (typically a pectin derivative), and product formation is monitored spectrophotometrically or fluorometrically. IC₅₀ values are calculated from dose-response curves. The compound's purity is confirmed by HPLC. Standard enzyme kinetics assays are used to determine the mechanism of inhibition.
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| Cell Assay |
In vitro cellular assays for Notum pectinacetylesterase-1 are not extensively documented. As an enzyme inhibitor targeting Notum pectinacetylesterase, which modulates Wnt signaling, potential cellular assays could include Wnt reporter gene assays in cell lines. Cells are treated with the compound and Wnt signaling activity is measured using luciferase reporter constructs or by measuring expression of Wnt target genes. Effects on bone cell differentiation could be evaluated in osteoblast or osteoclast culture systems.
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| Animal Protocol |
In vivo animal experiments for Notum pectinacetylesterase-1 have not been extensively reported. Based on its potent inhibition of Notum pectinacetylesterase and role in bone metabolism, potential studies could involve administration to rodent models of bone disorders, with endpoints including bone mineral density, bone histomorphometry, and serum markers of bone turnover. However, such studies have not been published for this specific compound to date.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Notum pectinacetylesterase-1 have not been characterized. The compound has a molecular formula of C₁₄H₁₄N₄O₂S₂. As a small molecule with sulfur-containing heterocycles, it may have reasonable oral bioavailability and tissue distribution. However, detailed pharmacokinetic data including absorption, distribution, metabolism, and excretion have not been reported. The compound is typically handled as a solid powder and stored under recommended conditions.
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| Toxicity/Toxicokinetics |
The toxicological profile of Notum pectinacetylesterase-1 is not extensively documented. The compound is a research tool used for studying bone disorders. Comprehensive toxicological evaluations including acute toxicity, genotoxicity, and repeated-dose studies have not been reported in the available literature. Standard laboratory safety precautions should be followed when handling this compound. The compound's high potency (IC₅₀ < 0.025 μM) suggests that careful dose titration would be required in any in vivo studies.
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| References | |
| Additional Infomation |
Notum pectinacetylesterase-1 (CAS# 460727-10-0, molecular formula C₁₄H₁₄N₄O₂S₂) is a potent inhibitor of Notum pectinacetylesterase with an IC₅₀ of less than 0.025 μM. The enzyme is involved in Wnt signaling and bone metabolism. The compound can be used for research of disorders affecting the bone. No clinical trials or regulatory approvals have been identified. Purity: >98% (HPLC).
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| Molecular Formula |
C14H14N4O2S2
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|---|---|
| Exact Mass |
334.055
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| CAS # |
460727-10-0
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| PubChem CID |
859554
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| Appearance |
Typically exists as solid at room temperature
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| LogP |
3.2
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
22
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| Complexity |
414
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1=CC(=NO1)NC(=O)CSC2=NC=NC3=C2C(=C(S3)C)C
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| InChi Key |
NJMSPMSFXZTGAR-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C14H14N4O2S2/c1-7-4-10(18-20-7)17-11(19)5-21-13-12-8(2)9(3)22-14(12)16-6-15-13/h4,6H,5H2,1-3H3,(H,17,18,19)
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| Chemical Name |
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
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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.) |
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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