Physicochemical Properties
| Molecular Formula | C16H8N2NA2O6S4 |
| Molecular Weight | 498.4841 |
| Exact Mass | 497.906 |
| CAS # | 67483-13-0 |
| Related CAS # | DIDS;53005-05-3 |
| PubChem CID | 5702690 |
| Appearance | Light yellow to yellow solid powder |
| Density | 1.54g/cm3 |
| Boiling Point | 397ºC |
| LogP | 5.98 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 30 |
| Complexity | 792 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | C1=CC(=C(C=C1N=C=S)S(=O)(=O)[O-])/C=C/C2=C(C=C(C=C2)N=C=S)S(=O)(=O)[O-].[Na+].[Na+] |
| InChi Key | GEPAYBXVXXBSKP-SEPHDYHBSA-L |
| InChi Code | InChI=1S/C16H10N2O6S4.2Na/c19-27(20,21)15-7-13(17-9-25)5-3-11(15)1-2-12-4-6-14(18-10-26)8-16(12)28(22,23)24;;/h1-8H,(H,19,20,21)(H,22,23,24);;/q;2*+1/p-2/b2-1+;; |
| Chemical Name | disodium;5-isothiocyanato-2-[(E)-2-(4-isothiocyanato-2-sulfonatophenyl)ethenyl]benzenesulfonate |
| 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 (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) |
Biological Activity
| ln Vitro | DIDS at doses lower than 400 μM has no clear deleterious effect on cell viability. DIDS pretreatment at 100 and 200 μM dosages decreased ALA-SDT-induced cell death, but the 50 μM dose showed no inhibitory impact. DIDS alone at a dose of 400 μM marginally reduced cell viability, but there was no statistically significant difference compared to untreated controls. DIDS (100 μM) pretreatment strongly reduces caspase-3 and caspase-9 activation [2]. |
| References |
[1]. Inhibition of VDAC1 prevents Ca²⁺-mediated oxidative stress and apoptosis induced by 5-aminolevulinic acid mediated sonodynamic therapy in THP-1 macrophages. Apoptosis. 2014 Dec;19(12):1712-26. [2]. Activation of soluble guanylyl cyclase prevents foam cell formation and atherosclerosis. Acta Physiol (Oxf). 2014 Apr;210(4):799-810. |
| Additional Infomation | An inhibitor of anion conductance including band 3-mediated anion transport. |
Solubility Data
| Solubility (In Vitro) |
DMSO : ~125 mg/mL (~250.76 mM) H2O : ~33.33 mg/mL (~66.86 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.17 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 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 20.8 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. Solubility in Formulation 2: ≥ 2.08 mg/mL (4.17 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline 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 | 2.0061 mL | 10.0305 mL | 20.0610 mL | |
| 5 mM | 0.4012 mL | 2.0061 mL | 4.0122 mL | |
| 10 mM | 0.2006 mL | 1.0030 mL | 2.0061 mL |