Physicochemical Properties
| Molecular Formula | C22H20CLN3O3S |
| Molecular Weight | 441.930502891541 |
| Exact Mass | 441.091 |
| CAS # | 1021106-40-0 |
| PubChem CID | 42111339 |
| Appearance | White to light yellow solid powder |
| LogP | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Heavy Atom Count | 30 |
| Complexity | 690 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | ClC1C=CC(=CC=1)CN(CC(N1C2C=CC=CC=2CC1)=O)S(C1C=NC=CC=1)(=O)=O |
| InChi Key | INLQYLVXKDCKIT-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C22H20ClN3O3S/c23-19-9-7-17(8-10-19)15-25(30(28,29)20-5-3-12-24-14-20)16-22(27)26-13-11-18-4-1-2-6-21(18)26/h1-10,12,14H,11,13,15-16H2 |
| Chemical Name | N-[(4-chlorophenyl)methyl]-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]pyridine-3-sulfonamide |
| 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 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) |
Biological Activity
| ln Vitro | IXA6 (10 µM; 4 or 18 hours) preferentially triggers the transcriptional response of XBP1 and stimulates the IRE1-XBP1 communication [1]. IXA6 (10 µM; 4 hours) exhibits selectivity for the modification of endoplasmic reticulum proteostasis that is dependent on IRE1-XBP1s [1]. IXA6 (10 µM; 18 hours) inhibits APP secretion by activating IRE1 [1]. |
| Cell Assay |
Western Blot Analysis[1] Cell Types: HEK293T Cell Tested Concentrations: 10 µM Incubation Duration: 18 hrs (hours) Experimental Results: Increase in ER proteostasis factor gene expression corresponds to an increase in protein levels. RT-PCR[1] Cell Types: HEK293T Cell Tested Concentrations: 10 µM Incubation Duration: 4 hrs (hours) Experimental Results: Genome activation of IRE1-XBP1s to approximately 30-40% of Tg levels observed (Tg represents 100% activation of each gene). Cell viability assay[1] Cell Types: HEK293T Cell Tested Concentrations: 10 µM Incubation Duration: 4 hrs (hours) Experimental Results: A high level of overlap (64%) in genes induced by XBP1s and IXA6 was observed. RT-PCR[1] Cell Types: Huh7 and SHSY5Y cells Tested Concentrations: 10 µM Incubation Duration: 4 hrs (hours) Experimental Results: XBP1s mRNA was selectively upregulated in cell lines including Huh7 and SHSY5Y cells. RT-PCR[1] Cell Types: CHO cells Tested Concentrations: 10 µM Incubation Duration: 18 hrs (hours) Experimental Results: Co-treatment with 4µ8c was observed to block the reduction in Aβ secretion, confirming that this reduction is dependent on stable e |
| References |
[1]. Pharmacologic IRE1/XBP1s activation confers targeted ER proteostasis reprogramming. Nat Chem Biol. 2020 Oct;16(10):1052-1061. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~33.33 mg/mL (~75.42 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.25 mg/mL (2.83 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 45% Saline (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 12.5 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 + to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.2628 mL | 11.3140 mL | 22.6280 mL | |
| 5 mM | 0.4526 mL | 2.2628 mL | 4.5256 mL | |
| 10 mM | 0.2263 mL | 1.1314 mL | 2.2628 mL |