| Size | Price | |
|---|---|---|
| 500mg | ||
| 1g | ||
| Other Sizes |
| Targets |
The primary target of DG-051 is leukotriene A4 hydrolase (LTA4H), a bifunctional zinc metalloenzyme that catalyzes the final step in LTB4 biosynthesis. It acts as a competitive inhibitor with an IC50 of 47 nM, binding to the catalytic site of LTA4H. By inhibiting LTA4H, it reduces LTB4 production, thereby attenuating leukotriene-mediated inflammation and cardiovascular risk.
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|---|---|
| ln Vitro |
DG-051 inhibits leukotriene A4 hydrolase with an IC50 of 47 nM. It exhibits high potency and selectivity for LTA4H over other enzymes in the leukotriene pathway. The compound is orally active and has been shown to decrease LTB4 production in preclinical models. These properties support its further investigation as a therapeutic agent for cardiovascular and inflammatory conditions.
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| ln Vivo |
In vivo, DG-051 is orally active and designed to decrease the risk of heart attack by reducing LTB4 biosynthesis. It has been studied in preclinical models of cardiovascular disease. Detailed pharmacokinetic and efficacy data are limited but its therapeutic potential is established through its potent LTA4H inhibition and oral bioavailability.
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| Enzyme Assay |
For non-cellular enzyme inhibition assays, recombinant LTA4H is incubated with DG-051 in the presence of a fluorogenic or chromogenic substrate. Enzyme activity is measured by fluorescence or absorbance. IC50 values are determined from dose-response curves. The reported IC50 is 47 nM. These protocols are for reference use only.
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| Cell Assay |
In vitro cell experiments employ immune cells such as neutrophils or monocytes treated with DG-051. LTB4 production is measured by ELISA or LC-MS. The compound's selectivity for LTA4H over other lipoxygenases or epoxide hydrolases is assessed. These protocols are for reference use only and require optimization for specific cell types.
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| Animal Protocol |
Animal studies employ rodent models of cardiovascular disease or inflammation. DG-051 is administered orally, and LTB4 levels are measured in plasma or tissues. The compound's efficacy in reducing cardiovascular risk is assessed. These protocols are for reference use only and require institutional approval for animal use. All products are for research use only.
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| References |
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| Additional Infomation |
DG051 is a novel small-molecule leukotriene A4 hydrolase (LTA4H) inhibitor. LTA4H is a protein encoded by a gene in the leukotriene pathway, which has been shown to be associated with the risk of heart attack. DG051 is designed to reduce the risk of heart attack by reducing the production of leukotriene B4 (LTB4). LTB4 is the end product of the leukotriene pathway and a potent inflammatory agonist.
See also: DG-051 (note moved here). Pharmaceutical Indications Studied for the treatment of myocardial infarction. Mechanism of Action DG051 is a leukotriene A4 hydrolase (LTA4H) inhibitor, an enzyme that has been shown to be associated with the risk of heart attack and is directly involved in the synthesis of LTB4. DG051 reduces the risk of heart attack by inhibiting LTA4H. The mechanism is to reduce the production of leukotriene B4 (LTB4), the end product of the leukotriene pathway and a potent inflammatory promoter. |
| Molecular Formula |
C21H24CLNO4
|
|---|---|
| Molecular Weight |
389.88
|
| Exact Mass |
389.139
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| CAS # |
929916-05-2
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| PubChem CID |
44537807
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| Appearance |
Typically exists as solid at room temperature
|
| LogP |
4.778
|
| tPSA |
59
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
9
|
| Heavy Atom Count |
27
|
| Complexity |
448
|
| Defined Atom Stereocenter Count |
1
|
| SMILES |
C1C[C@@H](COC2=CC=C(C=C2)OC3=CC=C(C=C3)Cl)N(C1)CCCC(=O)O
|
| InChi Key |
PVCTYSQBVIGZRU-KRWDZBQOSA-N
|
| InChi Code |
InChI=1S/C21H24ClNO4/c22-16-5-7-19(8-6-16)27-20-11-9-18(10-12-20)26-15-17-3-1-13-23(17)14-2-4-21(24)25/h5-12,17H,1-4,13-15H2,(H,24,25)/t17-/m0/s1
|
| Chemical Name |
4-[(2S)-2-[[4-(4-chlorophenoxy)phenoxy]methyl]pyrrolidin-1-yl]butanoic acid
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| Synonyms |
DG051; DG 051; DG-051
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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 | 2.5649 mL | 12.8245 mL | 25.6489 mL | |
| 5 mM | 0.5130 mL | 2.5649 mL | 5.1298 mL | |
| 10 mM | 0.2565 mL | 1.2824 mL | 2.5649 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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