| Size | Price | Stock | Qty |
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| 100mg |
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| 500mg |
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| 1g | |||
| Other Sizes |
| Targets |
h-NTPDase8-IN-1 targets human nucleoside triphosphate diphosphohydrolase 8 (h-NTPDase8). NTPDases are ectonucleotidases that hydrolyze extracellular nucleotides, thereby regulating purinergic signaling. h-NTPDase8 is involved in various physiological and pathological functions, including thrombosis, diabetes, inflammation, and cancer. The compound is a selective inhibitor of h-NTPDase8.
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| ln Vitro |
In vitro, h-NTPDase8-IN-1 is a selective inhibitor of h-NTPDase8 with an IC50 of 0.28 μM. It demonstrates specificity for h-NTPDase8 over other NTPDase family members. The compound is a sulfamoyl-benzamide derivative.
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| ln Vivo |
Specific in vivo activity data for h-NTPDase8-IN-1 are not extensively reported. As an NTPDase8 inhibitor, it would be expected to modulate purinergic signaling in vivo. Further studies would be required to evaluate its efficacy in disease models of thrombosis, diabetes, inflammation, and cancer.
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| Enzyme Assay |
NTPDase8 enzymatic activity is measured using biochemical assays with recombinant h-NTPDase8 protein. The enzyme is incubated with nucleotide substrates (such as ATP or ADP) in the presence of h-NTPDase8-IN-1 at varying concentrations. Nucleotide hydrolysis is measured by detecting the release of inorganic phosphate using colorimetric or fluorometric methods, and IC50 values are calculated from dose-response curves.
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| Cell Assay |
The cellular activity of h-NTPDase8-IN-1 is evaluated in NTPDase8-expressing cells. Cells are treated with the compound, and extracellular nucleotide levels are measured to assess enzyme inhibition. Nucleotide concentrations in the culture medium are quantified by HPLC or using luciferase-based ATP detection assays.
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| Animal Protocol |
In vivo efficacy of h-NTPDase8-IN-1 would typically be evaluated in animal models of thrombosis, diabetes, inflammation, or cancer. Animals would be administered the compound, and disease progression or relevant biomarkers would be assessed. Plasma nucleotide levels and purinergic signaling markers would be measured as pharmacodynamic endpoints.
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| ADME/Pharmacokinetics |
h-NTPDase8-IN-1 has a molecular formula of C10H10ClNO4S and a molecular weight of 275.71 g/mol. Its SMILES is O=C(O)C1=CC(=CC=C1Cl)S(=O)(=O)NC2CC2. Purity is ≥98%. The compound is soluble in DMSO.
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| Toxicity/Toxicokinetics |
Comprehensive toxicological data for h-NTPDase8-IN-1 are limited. The compound is intended for research use only. Standard laboratory safety precautions should be followed when handling this compound.
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| References | |
| Additional Infomation |
h-NTPDase8-IN-1 (compound 2d) is a selective inhibitor of h-NTPDase8. It is a valuable tool for studying the role of NTPDase8 in purinergic signaling and its involvement in thrombosis, diabetes, inflammation, and cancer. The compound's sulfamoyl-benzamide scaffold represents a novel chemotype for NTPDase inhibition.
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| Molecular Formula |
C10H10CLNO4S
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|---|---|
| Molecular Weight |
275.708700656891
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| Exact Mass |
275
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| Elemental Analysis |
C, 43.56; H, 3.66; Cl, 12.86; N, 5.08; O, 23.21; S, 11.63
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| CAS # |
716358-51-9
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| PubChem CID |
16768315
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| Appearance |
Typically exists as solid at room temperature
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| LogP |
1.7
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
17
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| Complexity |
401
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1CC1NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O
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| InChi Key |
PMRCCCUVEZWWQQ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C10H10ClNO4S/c11-9-4-3-7(5-8(9)10(13)14)17(15,16)12-6-1-2-6/h3-6,12H,1-2H2,(H,13,14)
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| Chemical Name |
2-chloro-5-(N-cyclopropylsulfamoyl)benzoic acid
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| Synonyms |
h-NTPDase8-IN-1; h-NTP-Dase8-IN-1; h-NTP Dase8-IN-1
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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.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.6270 mL | 18.1350 mL | 36.2700 mL | |
| 5 mM | 0.7254 mL | 3.6270 mL | 7.2540 mL | |
| 10 mM | 0.3627 mL | 1.8135 mL | 3.6270 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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