Physicochemical Properties
| Molecular Formula | C30H37N7O9 |
| Molecular Weight | 639.65628695488 |
| Exact Mass | 639.265 |
| CAS # | 2070009-61-7 |
| Related CAS # | Z-Gly-Gly-Arg-AMC;66216-78-2 |
| PubChem CID | 92044473 |
| Appearance | White to off-white solid powder |
| Hydrogen Bond Donor Count | 7 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 14 |
| Heavy Atom Count | 46 |
| Complexity | 1070 |
| Defined Atom Stereocenter Count | 1 |
| SMILES | C(=O)(O)C.CC1=CC(=O)OC2=CC(NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)OCC3C=CC=CC=3)=CC=C12 |
| InChi Key | AVVGJZBMODPHEX-BOXHHOBZSA-N |
| InChi Code | InChI=1S/C28H33N7O7.C2H4O2/c1-17-12-25(38)42-22-13-19(9-10-20(17)22)34-26(39)21(8-5-11-31-27(29)30)35-24(37)15-32-23(36)14-33-28(40)41-16-18-6-3-2-4-7-18;1-2(3)4/h2-4,6-7,9-10,12-13,21H,5,8,11,14-16H2,1H3,(H,32,36)(H,33,40)(H,34,39)(H,35,37)(H4,29,30,31);1H3,(H,3,4)/t21-;/m0./s1 |
| Chemical Name | acetic acid;benzyl N-[2-[[2-[[(2S)-5-(diaminomethylideneamino)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate |
| 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 (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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]. Antiplatelet agents can promote two-peaked thrombin generation in platelet rich plasma: mechanism and possible applications. PLoS One. 2013;8(2):e55688. [2]. Effects of tissue factor, thrombomodulin and elevated clotting factor levels on thrombin generation in the calibrated automated thrombogram. Thromb Haemost. 2009 Nov;102(5):936-44. |
Solubility Data
| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~156.33 mM) H2O : ~20 mg/mL (~31.27 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 4.17 mg/mL (6.52 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 41.7 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: ≥ 4.17 mg/mL (6.52 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 41.7 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: ≥ 4.17 mg/mL (6.52 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 41.7 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 | 1.5633 mL | 7.8167 mL | 15.6333 mL | |
| 5 mM | 0.3127 mL | 1.5633 mL | 3.1267 mL | |
| 10 mM | 0.1563 mL | 0.7817 mL | 1.5633 mL |