| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
IALCA is a selective EphA2 antagonist (IC50 5.9 μM) that blocks ephrin-A1 binding and inhibits ephrin-A1–induced EphA2 phosphorylation, cell retraction, and rounding, while showing no detectable activity at FXR, PXR, LXRα, or TGR5, and it promotes Treg differentiation by enhancing Foxp3 expression.
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|---|---|
| ln Vitro |
Drug compounds have included stable heavy isotopes of carbon, hydrogen, and other elements, mostly as quantitative tracers while the drugs were being developed. Because deuteration may have an effect on a drug's pharmacokinetics and metabolic properties, it is a cause for concern [1].
In vitro, IALCA competitively inhibits ephrin-A1 binding to EphA2 with an IC50 of 5.9 μM, approximately 10-fold more potent than lithocholic acid (IC50 57 μM), and it inhibits ephrin-A1–induced EphA2 phosphorylation and cell retraction without activating FXR or TGR5. |
| ln Vivo |
In vivo, IALCA exerts protective effects on the intestinal epithelium and enhances Treg differentiation by promoting Foxp3 expression, and the deuterated form is used to quantify its absorption, tissue distribution, and metabolic flux in animal models.
|
| Enzyme Assay |
Noncellular binding assays incubate recombinant EphA2 with ephrin-A1 and increasing concentrations of isoallolithocholic acid-d2; competitive binding is measured by ELISA or surface plasmon resonance, and IC50 values are derived, with FXR and TGR5 activation assessed in parallel to confirm selectivity.
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| Cell Assay |
Cellular assays use EphA2-expressing cells or intestinal epithelial cells treated with isoallolithocholic acid-d2; ephrin-A1–induced EphA2 phosphorylation is measured by immunoblotting, cell retraction by microscopy, and Treg differentiation by flow cytometry, with LC-MS/MS confirming compound uptake.
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| Animal Protocol |
Animal protocols administer isoallolithocholic acid-d2 to rodents by oral gavage; plasma, bile, and intestinal tissue are collected for LC-MS/MS quantification of the bile acid and its metabolites, and intestinal barrier function and Treg populations are measured.
|
| References |
| Molecular Formula |
C24H40O3
|
|---|---|
| Molecular Weight |
376.57
|
| Exact Mass |
378.31
|
| CAS # |
2410277-69-7
|
| Related CAS # |
Isoallolithocholic acid;2276-93-9
|
| PubChem CID |
160874420
|
| Appearance |
White to off-white solid powder
|
| LogP |
6.3
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
4
|
| Heavy Atom Count |
27
|
| Complexity |
574
|
| Defined Atom Stereocenter Count |
9
|
| SMILES |
C[C@]12CC[C@]3([H])[C@]4(CC[C@H](O)C[C@]4([H])CC[C@@]3([H])[C@]1([H])CC[C@]2([H])[C@H](C)CC([H])([H])C(=O)O)C
|
| InChi Key |
SMEROWZSTRWXGI-KYDVCKLOSA-N
|
| InChi Code |
InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16+,17+,18+,19-,20+,21+,23+,24-/m1/s1/i9D2
|
| Chemical Name |
(4R)-2,2-dideuterio-4-[(3S,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| 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 | 2.6555 mL | 13.2777 mL | 26.5555 mL | |
| 5 mM | 0.5311 mL | 2.6555 mL | 5.3111 mL | |
| 10 mM | 0.2656 mL | 1.3278 mL | 2.6555 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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