Physicochemical Properties
| Molecular Formula | C22H20FNO2 |
| Molecular Weight | 349.4 |
| Exact Mass | 349.148 |
| CAS # | 41179-33-3 |
| PubChem CID | 11382492 |
| Appearance | Off-white to light brown solid powder |
| Density | 1.229g/cm3 |
| Boiling Point | 585ºC at 760 mmHg |
| Flash Point | 307.6ºC |
| Index of Refraction | 1.627 |
| LogP | 5.232 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Heavy Atom Count | 26 |
| Complexity | 428 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | ODYAQBDIXCVKAE-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C22H20FNO2/c23-21-6-2-1-5-20(21)17-10-8-16(9-11-17)4-3-7-22(26)24-18-12-14-19(25)15-13-18/h1-2,5-6,8-15,25H,3-4,7H2,(H,24,26) |
| Chemical Name | 4-[4-(2-fluorophenyl)phenyl]-N-(4-hydroxyphenyl)butanamide |
| Synonyms | CMPD 1; CMPD-1; CMPD1 |
| 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 | The phosphorylation of MBP and ATF2, two additional substrates mediated by p38 MAPK, is not inhibited by CMPD1 [1]. In U87 cells, CMPD1 causes apoptosis and mitotic arrest [1]. In glioblastoma cells, CMPD1 suppresses tubulin polymerization [3]. |
| References |
[1]. Cytotoxic activity of the MK2 inhibitor CMPD1 in glioblastoma cells is independent of MK2. Cell Death Discov. 2015 Sep 7;1:15028. [2]. Davidson W, er al. Discovery and characterization of a substrate selective p38alpha inhibitor. Biochemistry. 2004 Sep 21;43(37):11658-71. [3]. Pharmacology of novel small-molecule tubulin inhibitors in glioblastoma cells with enhanced EGFR signalling. Biochem Pharmacol. 2015 Dec 15;98(4):587-601. |
| Additional Infomation | 4-[4-(2-fluorophenyl)phenyl]-N-(4-hydroxyphenyl)butanamide is a member of biphenyls. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~286.20 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (5.95 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 (5.95 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 (5.95 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.8620 mL | 14.3102 mL | 28.6205 mL | |
| 5 mM | 0.5724 mL | 2.8620 mL | 5.7241 mL | |
| 10 mM | 0.2862 mL | 1.4310 mL | 2.8620 mL |