| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| 100mg | |||
| 500mg | |||
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| Targets |
SLM6031434 HCl selectively targets sphingosine kinase 2 (SPHK2/SphK2), an enzyme that catalyzes the phosphorylation of sphingosine to sphingosine-1-phosphate (S1P). The compound shows a Ki value of 0.4 μM for the recombinant mouse enzyme and demonstrates significant selectivity for SPHK2 over SPHK1 (Kis >20 μM). SphK2 plays crucial roles in various cellular processes including cell proliferation, differentiation, and apoptosis. By inhibiting SphK2, the compound modulates sphingolipid metabolism, leading to sphingosine accumulation and altered Smad7 expression.
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| ln Vitro |
In vitro studies demonstrate that SLM6031434 HCl is a potent SphK2 inhibitor with an IC50 value of 0.4 μM. The compound shows high selectivity for SphK2 over SphK1, with Kis of >20 μM for SphK1. SLM6031434 HCl reduces LPS-induced production of pro-inflammatory cytokines TNFα and IL-1β. The compound's anti-fibrotic effects are mediated through sphingosine accumulation and modulation of Smad7 expression. Cellular assays demonstrate that SphK2 inhibition leads to altered sphingolipid metabolism and downstream signaling pathways.
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| ln Vivo |
In vivo data for SLM6031434 HCl indicates anti-fibrotic activity, with the compound being investigated for research applications in renal fibrosis. The compound reduces LPS-induced inflammatory responses and modulates sphingolipid metabolism in animal models. By inhibiting SphK2, SLM6031434 HCl affects sphingosine-1-phosphate (S1P) signaling pathways that are involved in fibrosis, inflammation, and tissue remodeling. Further in vivo studies are warranted to fully characterize the compound's efficacy in various disease models, including renal fibrosis, inflammatory conditions, and potentially cancer.
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| Enzyme Assay |
The in vitro enzyme assay for SLM6031434 HCl involves measuring SphK2 activity using recombinant mouse or human SphK2 enzyme. The assay typically uses [γ-33P]ATP and sphingosine as substrates in a kinase reaction. Enzyme, inhibitor (varying concentrations, typically 0.01-100 μM), and substrate are incubated for 30-60 minutes at 37°C. The reaction is terminated by adding stop solution, and the phosphorylated product (S1P) is separated by thin-layer chromatography or filter-binding methods. Radioactivity is measured using scintillation counting. Ki and IC50 values are determined from dose-response curves using non-linear regression analysis.
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| Cell Assay |
In vitro cellular assays for SLM6031434 HCl typically use cell lines such as HEK293, HeLa, or renal epithelial cells. Cells are cultured in appropriate media and treated with the compound at concentrations ranging from 0.1-50 μM for 24-72 hours. Sphingosine-1-phosphate (S1P) levels are measured by LC-MS/MS to confirm target engagement. Cell viability is assessed using MTT or CCK-8 assays. Inflammatory cytokine production (TNFα, IL-1β, IL-6) is measured by ELISA after LPS stimulation. Apoptosis is evaluated using caspase-3/7 activity assays and Annexin V staining.
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| Animal Protocol |
In vivo animal studies for SLM6031434 HCl would typically involve mouse models of renal fibrosis induced by unilateral ureteral obstruction (UUO) or folic acid administration. Mice are treated with the compound via oral gavage or intraperitoneal injection at doses of 1-30 mg/kg daily for 1-4 weeks. Endpoints include histological analysis of kidney tissue (Masson's trichrome staining for fibrosis), measurement of hydroxyproline content, assessment of inflammatory cytokine levels, and evaluation of S1P levels in plasma and tissues. Fibrosis markers (α-SMA, fibronectin, collagen I) are analyzed by qPCR and Western blot.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of SLM6031434 HCl are not extensively reported. The compound is a crystalline solid with a purity of ≥98% (HPLC). It is soluble in DMF (20 mg/ml), DMSO (20 mg/ml), ethanol (5 mg/ml), and DMSO:PBS (pH 7.2, 1:1) at 0.5 mg/ml. The compound should be stored at -20°C and shipped on wet ice. Based on its physicochemical properties, the compound is expected to have moderate oral bioavailability. Further studies on plasma half-life, clearance, volume of distribution, and protein binding are needed to fully characterize its PK profile.
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| Toxicity/Toxicokinetics |
Toxicological data for SLM6031434 HCl is not well documented in the available literature. As a research compound intended for laboratory use only, it has not undergone comprehensive toxicological evaluation for human therapeutic applications. Standard safety precautions should be followed when handling the compound, including the use of appropriate personal protective equipment. The compound is classified for research purposes only and should not be used for human therapeutic, diagnostic, or other clinical applications. For detailed toxicity information, specialized safety data sheets should be consulted.
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| References | |
| Additional Infomation |
SLM6031434 HCl is a research-grade compound with a purity of ≥98% (HPLC). Its CAS number is 1897379-34-8 and molecular formula is C22H30F3N5O2·HCl. The molecular weight is 489.96. The compound is a selective SphK2 inhibitor with anti-fibrotic properties. The mechanism of action involves inhibition of sphingosine kinase 2, leading to sphingosine accumulation, reduced S1P production, and modulation of inflammatory and fibrotic pathways. This compound has not advanced to clinical trials and is not FDA-approved. It is strictly for research purposes only.
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| Molecular Formula |
C22H31CLF3N5O2
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| Molecular Weight |
489.962054491043
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| Exact Mass |
489.211
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| CAS # |
1897379-34-8
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| Related CAS # |
1897379-34-8 (HCl);1897379-33-7;1897381-17-7;
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| PubChem CID |
134812833
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| Appearance |
White to off-white solid powder
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
11
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| Heavy Atom Count |
33
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| Complexity |
594
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| Defined Atom Stereocenter Count |
1
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| SMILES |
CCCCCCCCOC1=C(C=C(C=C1)C2=NOC(=N2)[C@@H]3CCCN3C(=N)N)C(F)(F)F.Cl
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| InChi Key |
YIGAQKBPLMSWOD-LMOVPXPDSA-N
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| InChi Code |
InChI=1S/C22H30F3N5O2.ClH/c1-2-3-4-5-6-7-13-31-18-11-10-15(14-16(18)22(23,24)25)19-28-20(32-29-19)17-9-8-12-30(17)21(26)27;/h10-11,14,17H,2-9,12-13H2,1H3,(H3,26,27);1H/t17-;/m0./s1
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| Chemical Name |
(2S)-2-[3-[4-octoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide;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, avoid exposure to moisture. |
| 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: ~5 mg/mL (~10.2 mM; with ultrasonication)
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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 | 2.0410 mL | 10.2049 mL | 20.4098 mL | |
| 5 mM | 0.4082 mL | 2.0410 mL | 4.0820 mL | |
| 10 mM | 0.2041 mL | 1.0205 mL | 2.0410 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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