Physicochemical Properties
| Molecular Formula | C22H24N2O8 |
| Molecular Weight | 444.43 |
| Exact Mass | 444.153 |
| CAS # | 988-75-0 |
| PubChem CID | 96820 |
| Appearance | White to off-white solid powder |
| Density | 1.381g/cm3 |
| Boiling Point | 815.3ºC at 760 mmHg |
| Melting Point | 185-187ºC |
| Flash Point | 446.9ºC |
| Index of Refraction | 1.608 |
| LogP | 2.445 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 12 |
| Heavy Atom Count | 32 |
| Complexity | 642 |
| Defined Atom Stereocenter Count | 2 |
| SMILES | O=C(O)CC[C@@H](C(N[C@H](C(O)=O)CC1=CC=C(O)C=C1)=O)NC(OCC2=CC=CC=C2)=O |
| InChi Key | XLUMOZQZGPJGTL-ROUUACIJSA-N |
| InChi Code | InChI=1S/C22H24N2O8/c25-16-8-6-14(7-9-16)12-18(21(29)30)23-20(28)17(10-11-19(26)27)24-22(31)32-13-15-4-2-1-3-5-15/h1-9,17-18,25H,10-13H2,(H,23,28)(H,24,31)(H,26,27)(H,29,30)/t17-,18-/m0/s1 |
| Chemical Name | (4S)-5-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic 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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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]. Enzymatic Synthesis of Peptides on a Solid Support. Org Biomol Chem. |
Solubility Data
| Solubility (In Vitro) | DMSO: 100 mg/mL (225.01 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.63 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 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. Solubility in Formulation 2: ≥ 2.5 mg/mL (5.63 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 25.0 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: ≥ 2.5 mg/mL (5.63 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 25.0 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 | 2.2501 mL | 11.2504 mL | 22.5007 mL | |
| 5 mM | 0.4500 mL | 2.2501 mL | 4.5001 mL | |
| 10 mM | 0.2250 mL | 1.1250 mL | 2.2501 mL |