| Size | Price | Stock | Qty |
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| 5mg |
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| Targets |
AZD9898 targets leukotriene-C4 synthetase (LTC4S, also known as glutathione S-transferase II), a key enzyme in the biosynthesis of cysteinyl leukotrienes. Cysteinyl leukotrienes are lipid mediators involved in inflammatory responses, particularly in asthma and other allergic diseases. AZD9898 inhibits LTC4S with an IC50 of 0.28 nM. By blocking LTC4S activity, AZD9898 reduces the production of cysteinyl leukotrienes, thereby modulating inflammatory responses.
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| ln Vitro |
In vitro, AZD9898 potently inhibits leukotriene-C4 synthetase (LTC4S) with an IC50 of 0.28 nM. The compound's potent inhibition of LTC4S reduces the biosynthesis of cysteinyl leukotrienes, which are key mediators of inflammation in asthma and other allergic diseases. AZD9898 also mitigates GABA binding and hepatic toxicity signals. These in vitro data demonstrate the compound's potential as a therapeutic agent for inflammatory conditions.
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| ln Vivo |
There were no safety issues and AZD9898 at a single dose of 100 mg/kg was well tolerated [1].
In vivo, AZD9898 has been studied for its potential in treating asthma and other allergic diseases. As an orally active LTC4S inhibitor with an IC50 of 0.28 nM, AZD9898 reduces the production of cysteinyl leukotrienes, thereby modulating inflammatory responses. The compound mitigates GABA binding and hepatic toxicity signals. Detailed in vivo efficacy data are available in the scientific literature. AZD9898 is for research purposes only. |
| Enzyme Assay |
Enzyme activity assays for AZD9898 are performed using purified recombinant LTC4S enzyme. LTC4S activity is measured by monitoring the conjugation of leukotriene A4 (LTA4) with glutathione to form leukotriene C4 (LTC4). AZD9898 is incubated with the enzyme and substrates at varying concentrations in appropriate assay buffer. The reaction is stopped, and product formation is quantified by HPLC or LC-MS. IC50 values are calculated from concentration-response curves. Nonspecific activity is determined in control reactions without inhibitor.
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| Cell Assay |
Cellular assays for AZD9898 are performed using cell lines that express LTC4S, such as mast cells or eosinophils. Cells are cultured in appropriate media and treated with AZD9898 at varying concentrations for defined time periods. LTC4 production is measured by ELISA or LC-MS. Cell viability is assessed using standard assays such as MTT or CellTiter-Glo. The compound's effects on inflammatory mediator production may also be assessed. AZD9898 is typically dissolved in DMSO and diluted in cell culture media for treatment.
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| Animal Protocol |
Animal/Disease Models: Rat 6M/group[1]. Strength: 10 and 100 mg/kg (for toxicology studies).
Route of Administration: Orally. Experimental Results: No signs of testicular toxicity, only adaptive changes in the liver due to cytochrome P450 induction, not judged as adverse effects, providing a 200-fold gap between no adverse effect levels and predicted human exposure at predicted therapeutic doses Margin. In vivo studies with AZD9898 are conducted in animal models of asthma and allergic inflammation. AZD9898 is administered via oral routes at defined doses and schedules. Inflammatory responses are assessed by measuring leukotriene levels in bronchoalveolar lavage fluid, airway hyperresponsiveness, and leukocyte infiltration. Pharmacokinetic parameters are determined from plasma samples collected at various time points. The compound's efficacy in reducing inflammation is being evaluated in preclinical models. |
| ADME/Pharmacokinetics |
AZD9898 has a molecular weight of 543.6 and a molecular formula of C28H29FN6O4S. The compound is orally bioavailable. AZD9898 inhibits LTC4S with an IC50 of 0.28 nM. Detailed pharmacokinetic parameters, including oral bioavailability and half-life, have been characterized in preclinical studies. The compound is soluble in DMSO. It should be stored at -20degC. AZD9898 is intended for research use only.
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| Toxicity/Toxicokinetics |
Comprehensive toxicology data for AZD9898 are not extensively documented in publicly available sources. The compound is intended for research use only and is not approved for human therapeutic applications. AZD9898 mitigates GABA binding and hepatic toxicity signals. Standard laboratory safety practices should be followed when handling this compound, including the use of appropriate personal protective equipment and adherence to institutional biosafety and chemical hygiene guidelines.
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| References | |
| Additional Infomation |
AZD9898 is a potent, orally active inhibitor of leukotriene C4 synthase (LTC4S) with an IC50 of 0.28 nM. LTC4S is a key enzyme in the biosynthesis of cysteinyl leukotrienes, lipid mediators involved in inflammatory responses, particularly in asthma and other allergic diseases. AZD9898 mitigates GABA binding and hepatic toxicity signals. The compound is for research purposes only and is not approved for clinical use.
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| Molecular Formula |
C20H19CLF3N3O4
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| Molecular Weight |
457.83077454567
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| Exact Mass |
457.101
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| CAS # |
2042347-69-1
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| Related CAS # |
2042347-69-1 (free);AZD9898 HCl;
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| PubChem CID |
122670110
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| Appearance |
Light yellow to yellow solid powder
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| LogP |
3.5
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
10
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
31
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| Complexity |
688
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| Defined Atom Stereocenter Count |
2
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| SMILES |
ClC1=C(C=C(C(=C1)N(C1=CN=C(C(=N1)OC)C([C@H]1C[C@@H]1C(=O)O)=O)CC(C)(C)F)F)F
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| InChi Key |
RVMWIVNHZMXEHS-UWVGGRQHSA-N
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| InChi Code |
InChI=1S/C20H19ClF3N3O4/c1-20(2,24)8-27(14-5-11(21)12(22)6-13(14)23)15-7-25-16(18(26-15)31-3)17(28)9-4-10(9)19(29)30/h5-7,9-10H,4,8H2,1-3H3,(H,29,30)/t9-,10-/m0/s1
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| Chemical Name |
(1S,2S)-2-[5-(5-chloro-2,4-difluoro-N-(2-fluoro-2-methylpropyl)anilino)-3-methoxypyrazine-2-carbonyl]cyclopropane-1-carboxylic acid
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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 : ≥ 250 mg/mL (~546.05 mM)
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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 | 2.1842 mL | 10.9211 mL | 21.8422 mL | |
| 5 mM | 0.4368 mL | 2.1842 mL | 4.3684 mL | |
| 10 mM | 0.2184 mL | 1.0921 mL | 2.1842 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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