Physicochemical Properties
| Molecular Formula | C27H24N2O4 |
| Molecular Weight | 440.49 |
| Exact Mass | 440.173 |
| CAS # | 1334509-86-2 |
| PubChem CID | 53832785 |
| Appearance | White to off-white solid powder |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 699.7±55.0 °C at 760 mmHg |
| Flash Point | 376.9±31.5 °C |
| Vapour Pressure | 0.0±2.3 mmHg at 25°C |
| Index of Refraction | 1.663 |
| LogP | 5.73 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Heavy Atom Count | 33 |
| Complexity | 692 |
| Defined Atom Stereocenter Count | 1 |
| SMILES | CN1C=C(C2=CC=CC=C21)C[C@H](NC(OCC3C4=CC=CC=C4C5=CC=CC=C53)=O)C(O)=O |
| InChi Key | GDPXIUSEXJJUGT-DEOSSOPVSA-N |
| InChi Code | InChI=1S/C27H24N2O4/c1-29-15-17(18-8-6-7-13-25(18)29)14-24(26(30)31)28-27(32)33-16-23-21-11-4-2-9-19(21)20-10-3-5-12-22(20)23/h2-13,15,23-24H,14,16H2,1H3,(H,28,32)(H,30,31)/t24-/m0/s1 |
| Chemical Name | (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1-methylindol-3-yl)propanoic acid |
| 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]. Self-Assembled Surfactant Cyclic Peptide Nanostructures as Stabilizing Agents. Soft Matter. 2013 Oct 21;9(39). |
Solubility Data
| Solubility (In Vitro) | DMSO: 62.5 mg/mL (141.89 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.08 mg/mL (4.72 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication. 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 (4.72 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 | 2.2702 mL | 11.3510 mL | 22.7020 mL | |
| 5 mM | 0.4540 mL | 2.2702 mL | 4.5404 mL | |
| 10 mM | 0.2270 mL | 1.1351 mL | 2.2702 mL |