Physicochemical Properties
| Molecular Formula | C13H16BRCLN2 |
| Molecular Weight | 315.636541366577 |
| Exact Mass | 314.018 |
| CAS # | 1092851-70-1 |
| Related CAS # | Heme Oxygenase-1-IN-1;1093058-52-6 |
| PubChem CID | 66678516 |
| Appearance | Light yellow to yellow solid powder |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 17 |
| Complexity | 190 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | BrC1C=CC(=CC=1)CCCCN1C=NC=C1.Cl |
| InChi Key | IUTCFFFBKPGSJF-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C13H15BrN2.ClH/c14-13-6-4-12(5-7-13)3-1-2-9-16-10-8-15-11-16;/h4-8,10-11H,1-3,9H2;1H |
| Chemical Name | 1-[4-(4-bromophenyl)butyl]imidazole;hydrochloride |
| 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
| References |
[1]. Development of new HO-1 inhibitors by a thorough scaffold-hopping analysis. Bioorg Chem. 2018 Dec;81:334-339. [2]. Mitochondrial GRIM-19 loss in parietal cells promotes spasmolytic polypeptide-expressing metaplasia through NLR family pyrin domain-containing 3 (NLRP3)-mediated IL-33 activation via a reactive oxygen species (ROS) -NRF2- Heme oxygenase-1(HO-1)-NF-кB axis. Free Radic Biol Med. 2023 Jun;202:46-61. [3]. Mitochondrial GRIM-19 deficiency facilitates gastric cancer metastasis through oncogenic ROS-NRF2-HO-1 axis via a NRF2-HO-1 loop. Gastric Cancer. 2021 Jan;24(1):117-132. |
Solubility Data
| Solubility (In Vitro) |
DMSO : ~125 mg/mL (~396.02 mM) H2O : ~100 mg/mL (~316.82 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (6.59 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 (6.59 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. Solubility in Formulation 3: ≥ 2.08 mg/mL (6.59 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 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. Solubility in Formulation 4: 100 mg/mL (316.82 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.1682 mL | 15.8408 mL | 31.6817 mL | |
| 5 mM | 0.6336 mL | 3.1682 mL | 6.3363 mL | |
| 10 mM | 0.3168 mL | 1.5841 mL | 3.1682 mL |