Physicochemical Properties
| Molecular Formula | C7H4N4.C6H6O |
| Molecular Weight | 238.2447 |
| Exact Mass | 236.07 |
| CAS # | 144978-82-5 |
| PubChem CID | 5328804 |
| Appearance | Light yellow to yellow solid powder |
| LogP | 2.259 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 18 |
| Complexity | 505 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | N#CC(/C(=C(\C#N)/C#N)/N)=C.OC1C=CC=CC=1 |
| InChi Key | DXVJRTIPBNBLLB-BJMVGYQFSA-N |
| InChi Code | InChI=1S/C13H8N4O/c14-6-10(13(17)11(7-15)8-16)5-9-1-3-12(18)4-2-9/h1-5,18H,17H2/b10-5+ |
| Chemical Name | (3Z)-2-amino-4-(4-hydroxyphenyl)buta-1,3-diene-1,1,3-tricarbonitrile |
| 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) |
Biological Activity
| References |
[1]. Epidermal Growth Factor Receptor Is Activated by Hyposmolarity and Is an Early Signal Modulating Osmolyte Efflux Pathways in Swiss 3T3 Fibroblasts. Pflugers Arch. 2004 Mar;447(6):830-9. |
| Additional Infomation |
2-amino-4-(4-hydroxyphenyl)buta-1,3-diene-1,1,3-tricarbonitrile is a member of phenols. Tyrphostin A48 is a member of the Tyrphostin family of tyrosine kinase inhibitors that inhibits epidermal growth factor receptor tyrosine kinase. (NCI) |
Solubility Data
| Solubility (In Vitro) | DMSO : ~125 mg/mL (~529.15 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (8.80 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 (8.80 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 | 4.1974 mL | 20.9872 mL | 41.9745 mL | |
| 5 mM | 0.8395 mL | 4.1974 mL | 8.3949 mL | |
| 10 mM | 0.4197 mL | 2.0987 mL | 4.1974 mL |