Physicochemical Properties
| Molecular Formula | C33H60N8O9S |
| Molecular Weight | 744.942707061768 |
| Exact Mass | 744.42 |
| CAS # | 183292-41-3 |
| PubChem CID | 25184743 |
| Appearance | White to off-white solid powder |
| LogP | -0.7 |
| Hydrogen Bond Donor Count | 9 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 23 |
| Heavy Atom Count | 51 |
| Complexity | 1220 |
| Defined Atom Stereocenter Count | 7 |
| SMILES | [C@H]([C@@H](C)CC)(C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H](N)CCSC |
| InChi Key | WMASSBNUXWFHBX-CMCOHCKLSA-N |
| InChi Code | InChI=1S/C33H60N8O9S/c1-11-19(8)27(32(48)37-20(9)33(49)50)41-31(47)26(18(6)7)40-30(46)25(17(4)5)38-23(43)15-35-22(42)14-36-29(45)24(16(2)3)39-28(44)21(34)12-13-51-10/h16-21,24-27H,11-15,34H2,1-10H3,(H,35,42)(H,36,45)(H,37,48)(H,38,43)(H,39,44)(H,40,46)(H,41,47)(H,49,50)/t19-,20-,21-,24-,25-,26-,27-/m0/s1 |
| Chemical Name | (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]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 Note: (1). This product is not stable in solution, please use freshly prepared working solution for optimal results.(2). 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
| ln Vitro | Beta-Amyloid Aggregation Guidelines: The protocol we recommend is as follows. You should adjust this process to suit your unique needs as it simply offers guidelines. Dissolve the solid Aβ peptide in cold HFIP (hexafluoro-2-propanol). To ensure that the structure is randomized and monomerized, incubate the peptides for a minimum of one hour at room temperature. 2. Put the peptide that results from evaporating to preserve it on a film at -20 or -80°C. This will eliminate HFIP. 3. After achieving the desired concentration and buffer (serum- and phenol-red-free media), dissolve the resultant membrane in anhydrous DMSO at a concentration of 5 mM, vortex, and dilute. The solution should then be aged for 48 hours at 4–8°C. The supernatant contained soluble oligomers after the samples were centrifuged for 10 minutes at 4–8°C at 14,000 g. 10–200 times washed supernatant was used in studies. The techniques used differ based on the final use. |
| References |
[1]. Two distinct β-sheet structures in Italian-mutant amyloid-beta fibrils: a potential link to different clinical phenotypes. Cell Mol Life Sci. 2015 Dec;72(24):4899-913. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~50 mg/mL (~67.12 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (3.36 mM) in 10% DMSO + 90% (20% SBE-β-CD in 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 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 2: ≥ 2.5 mg/mL (3.36 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 | 1.3424 mL | 6.7119 mL | 13.4239 mL | |
| 5 mM | 0.2685 mL | 1.3424 mL | 2.6848 mL | |
| 10 mM | 0.1342 mL | 0.6712 mL | 1.3424 mL |