Physicochemical Properties
| Molecular Formula | C33H36N2O3 |
| Molecular Weight | 508.66 |
| Exact Mass | 508.272 |
| CAS # | 521310-51-0 |
| PubChem CID | 10229237 |
| Appearance | Colorless to light yellow ointment |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 686.3±55.0 °C at 760 mmHg |
| Flash Point | 368.8±31.5 °C |
| Vapour Pressure | 0.0±2.1 mmHg at 25°C |
| Index of Refraction | 1.594 |
| LogP | 6.24 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 14 |
| Heavy Atom Count | 38 |
| Complexity | 646 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | COC1=C(C=CC(=C1)CN(CCC2=CC=CC=N2)C(=O)CCCCC3=CC=CC=C3)OCC4=CC=CC=C4 |
| InChi Key | JWLZIHLAMJDONF-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C33H36N2O3/c1-37-32-24-29(19-20-31(32)38-26-28-15-6-3-7-16-28)25-35(23-21-30-17-10-11-22-34-30)33(36)18-9-8-14-27-12-4-2-5-13-27/h2-7,10-13,15-17,19-20,22,24H,8-9,14,18,21,23,25-26H2,1H3 |
| Chemical Name | N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-phenyl-N-(2-pyridin-2-ylethyl)pentanamide |
| Synonyms | MCP 110 MCP-110 MCP110 |
| 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
| Targets |
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| ln Vitro | In HEK293 cells, MCP110 (10 and 20 μM) suppresses the activation of AP-1 triggered by H-Ras (V12). The activation of Raf-1 activity by Ras is greatly reduced when MCP110 (20 μM) is present [1]. In fibrosarcoma HT1080 cells, MCP110 (1, 2, 5, 10 and 20 μM) shows dose-dependent suppression of increased Raf-1 activity [1]. Growth factors caused by serum, phorbol 12-myristate 13-acetate (100 nM), platelet-derived growth factor in A549 cells (20 ng/mL), and EGF (100 ng/mL) are all reduced by MCP110 (20 μM)[1]. | |
| References |
[1]. Inhibitors of Ras/Raf-1 Interaction Identified by Two-Hybrid Screening Revert Ras-dependent Transformation Phenotypes in Human Cancer Cells. Proc Natl Acad Sci U S A. 2002 Oct 29;99(22):14398-403. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~250 mg/mL (~491.50 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.09 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 (4.09 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 | 1.9659 mL | 9.8297 mL | 19.6595 mL | |
| 5 mM | 0.3932 mL | 1.9659 mL | 3.9319 mL | |
| 10 mM | 0.1966 mL | 0.9830 mL | 1.9659 mL |