Physicochemical Properties
| Molecular Formula | C20H28N4O7 |
| Molecular Weight | 436.45892 |
| Exact Mass | 436.196 |
| Elemental Analysis | C, 55.04; H, 6.47; N, 12.84; O, 25.66 |
| CAS # | 187794-49-6 |
| Related CAS # | Boc-Gly-Gly-Phe-Gly-OH TFA;2450273-39-7 |
| PubChem CID | 10873788 |
| Appearance | White to off-white solid powder |
| LogP | 2.28 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 12 |
| Heavy Atom Count | 31 |
| Complexity | 654 |
| Defined Atom Stereocenter Count | 1 |
| SMILES | CC(C)(OC(NCC(NCC(N[C@H](C(NCC(O)=O)=O)CC1=CC=CC=C1)=O)=O)=O)C |
| InChi Key | PTUJJIPXBJJLLV-AWEZNQCLSA-N |
| InChi Code | InChI=1S/C20H28N4O7/c1-20(2,3)31-19(30)23-10-15(25)21-11-16(26)24-14(18(29)22-12-17(27)28)9-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,21,25)(H,22,29)(H,23,30)(H,24,26)(H,27,28)/t14-/m0/s1 |
| Chemical Name | 2-[[(2S)-2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]acetic acid |
| Synonyms | Boc-Gly-Gly-Phe-Gly-OH; |
| 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
Solubility Data
| Solubility (In Vitro) |
DMSO : ≥ 100 mg/mL (~229.12 mM) H2O : ~25 mg/mL (~57.28 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.73 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 (5.73 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. Solubility in Formulation 3: 33.33 mg/mL (76.36 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.2912 mL | 11.4558 mL | 22.9116 mL | |
| 5 mM | 0.4582 mL | 2.2912 mL | 4.5823 mL | |
| 10 mM | 0.2291 mL | 1.1456 mL | 2.2912 mL |