| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| 100mg | |||
| Other Sizes |
| Targets |
Asp-4058 hydrochloride targets S1P1 and S1P5 receptors. It preferentially activates S1P1 and S1P5 compared to S1P2, S1P3, and S1P4 in GTPγS binding assays. By activating these receptors, it modulates immune function.
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| ln Vitro |
In vitro, ASP-4058 demonstrates potent and selective agonism for S1P1 and S1P5 over other S1P receptor subtypes in GTPγS binding assays. This selectivity is a key feature of its in vitro profile.
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| ln Vivo |
ASP4058 (oral, once daily for 21 days) hydrochloride lowered clinical scores in a dose-dependent manner, with cumulative clinical scores of 15.5±1.48 and 9.50 from day 0 to 21 dpi at 0.03, 0.1 and 0.3 mg/kg, respectively. ±2.17 and ±1.17 in rats respectively, while it was 15.5±0.619 in the vehicle-treated group. ASP4058 reduces weight loss in EAE rats [1]. ASP4058 hydrochloride (oral, daily for 12 to 45 days) maintained clinical scores at reasonably low levels, with a cumulative clinical score (18-45 dpi) of 6.90 ± 2.85 in mice given with doses of 0.1 and 0.3 mg/kg. are 5.60±2.21 correspondingly. The ED50 value of ASP4058 is 0.063 mg/kg[1].
In vivo, ASP-4058 hydrochloride ameliorates experimental autoimmune encephalomyelitis (EAE) in mice, which is a model of multiple sclerosis. It is effective orally and shows a favorable safety profile. |
| Enzyme Assay |
The selectivity of ASP-4058 for S1P1 and S1P5 is determined using GTPγS binding assays. In this cell-free system, the compound's ability to activate different S1P receptor subtypes is measured, demonstrating its preferential activation of S1P1 and S1P5.
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| Cell Assay |
The functional activity of ASP-4058 is confirmed in cell-based assays, such as those measuring S1P1-mediated downstream signaling. However, specific details of these assays are not provided in the available literature. Its primary characterization is based on the GTPγS binding data.
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| Animal Protocol |
In vivo efficacy is evaluated in the murine experimental autoimmune encephalomyelitis (EAE) model. ASP-4058 is administered orally to mice, and its ability to ameliorate the disease is assessed by monitoring clinical scores and other relevant parameters.
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| ADME/Pharmacokinetics |
ASP-4058 hydrochloride is an orally active compound. Its pharmacokinetic properties, such as oral bioavailability and half-life, are characteristic of a small molecule drug designed for oral administration, although specific parameters are not detailed in the available literature.
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| Toxicity/Toxicokinetics |
ASP-4058 hydrochloride is reported to have a favorable safety profile. Specific toxicity data is not provided, but its development as a therapeutic agent would involve extensive toxicological evaluation.
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| References | |
| Additional Infomation |
ASP-4058 hydrochloride is a second-generation S1P receptor modulator. Its development is focused on providing a safer and more effective alternative to first-generation S1P modulators like fingolimod, with the potential to treat autoimmune diseases such as multiple sclerosis.
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| Molecular Formula |
C19H13CLF6N4O2
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|---|---|
| Molecular Weight |
478.7755
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| Exact Mass |
478.063
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| CAS # |
952510-14-4
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| Related CAS # |
952565-91-2;
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| PubChem CID |
16755142
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| Appearance |
Off-white to light yellow solid powder
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
11
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
32
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| Complexity |
621
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| Defined Atom Stereocenter Count |
1
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| SMILES |
C[C@@H](C(F)(F)F)OC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC4=C(C=C3)N=CN4)C(F)(F)F.Cl
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| InChi Key |
KRUYZACYZSOZCV-FVGYRXGTSA-N
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| InChi Code |
InChI=1S/C19H12F6N4O2.ClH/c1-9(18(20,21)22)30-15-5-3-11(6-12(15)19(23,24)25)17-28-16(29-31-17)10-2-4-13-14(7-10)27-8-26-13;/h2-9H,1H3,(H,26,27);1H/t9-;/m0./s1
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| Chemical Name |
3-(3H-benzimidazol-5-yl)-5-[3-(trifluoromethyl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-1,2,4-oxadiazole;hydrochloride
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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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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 : ~200 mg/mL (~417.73 mM)
H2O : < 0.1 mg/mL |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 5 mg/mL (10.44 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 50.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.0886 mL | 10.4432 mL | 20.8864 mL | |
| 5 mM | 0.4177 mL | 2.0886 mL | 4.1773 mL | |
| 10 mM | 0.2089 mL | 1.0443 mL | 2.0886 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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