Physicochemical Properties
| Molecular Formula | C20H16BR2O3 |
| Molecular Weight | 464.1472 |
| Exact Mass | 461.947 |
| CAS # | 932749-62-7 |
| PubChem CID | 16203606 |
| Appearance | Light yellow to yellow solid powder |
| LogP | 5.842 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 25 |
| Complexity | 511 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | C1C/C(=C\C2=CC(=C(C=C2)O)Br)/C(=O)/C(=C/C3=CC(=C(C=C3)O)Br)/C1 |
| InChi Key | YOLKEKNTCBWPSD-VOMDNODZSA-N |
| InChi Code | InChI=1S/C20H16Br2O3/c21-16-10-12(4-6-18(16)23)8-14-2-1-3-15(20(14)25)9-13-5-7-19(24)17(22)11-13/h4-11,23-24H,1-3H2/b14-8+,15-9+ |
| Chemical Name | (2E,6E)-2,6-bis[(3-bromo-4-hydroxyphenyl)methylidene]cyclohexan-1-one |
| 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
| ln Vitro | In HeLa-H2B-EYFP cells, Histone Acetyltransferase Inhibitor II (20–40 μM) lowers H3 acetylation levels [1]. |
| References |
[1]. Cinnamoyl compounds as simple molecules that inhibit p300 histone acetyltransferase. J Med Chem. 2007 Apr 19;50(8):1973-7. Epub 2007 Mar 10. |
Solubility Data
| Solubility (In Vitro) | DMSO : ≥ 30 mg/mL (~64.63 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.39 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 25.0 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 | 2.1545 mL | 10.7724 mL | 21.5448 mL | |
| 5 mM | 0.4309 mL | 2.1545 mL | 4.3090 mL | |
| 10 mM | 0.2154 mL | 1.0772 mL | 2.1545 mL |