Physicochemical Properties
| Molecular Formula | C43H58N4O10S2 |
| Molecular Weight | 855.07 |
| Exact Mass | 854.359 |
| CAS # | 1497420-70-8 |
| Related CAS # | CY5-SE;146368-14-1 |
| PubChem CID | 154728096 |
| Appearance | Purple to purplish red solid powder |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 16 |
| Heavy Atom Count | 59 |
| Complexity | 1750 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | CCN\1C2=C(C=C(C=C2)S(=O)(=O)[O-])C(/C1=C\C=C\C=C\C3=[N+](C4=C(C3(C)C)C=C(C=C4)S(=O)(=O)O)CCCCCC(=O)ON5C(=O)CCC5=O)(C)C.CCN(CC)CC |
| InChi Key | IFUMHFCOWWJPSC-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C37H43N3O10S2.C6H15N/c1-6-38-29-18-16-25(51(44,45)46)23-27(29)36(2,3)31(38)13-9-7-10-14-32-37(4,5)28-24-26(52(47,48)49)17-19-30(28)39(32)22-12-8-11-15-35(43)50-40-33(41)20-21-34(40)42;1-4-7(5-2)6-3/h7,9-10,13-14,16-19,23-24H,6,8,11-12,15,20-22H2,1-5H3,(H-,44,45,46,47,48,49);4-6H2,1-3H3 |
| Chemical Name | N,N-diethylethanamine;(2E)-2-[(2E,4E)-5-[1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-3,3-dimethyl-5-sulfoindol-1-ium-2-yl]penta-2,4-dienylidene]-1-ethyl-3,3-dimethylindole-5-sulfonate |
| 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
| ln Vitro | Advice (This is our suggested protocol, which should be adjusted to suit your particular circumstances as it simply offers guidance). SELP analogues conjugated to Cy5-SE. 1. Combine 10 μL of 1.2 mg/mL Cy5 monoNHS-ester in DMSO with 1 mL of 100 μg/mL SELP solution in 100 mM sodium bicarbonate buffer (pH 8.3), then let it sit on ice for two hours. ..2. To quench the reaction, add 50 μL of 1 M Tris-HCl (pH 8.0) to the reaction solution. 3. Centrifugation at 1050g[1] for three minutes is the method used to elute the Cy5-conjugated SELP after loading the reaction mixture onto a 1.5 mL Sephadex G-25 column. |
| References |
[1]. Array-Based High-Throughput Analysis of Silk-Elastinlike Protein Polymer Degradation and C-Peptide Release by Proteases. Anal Chem. 2016;88(10):5398-5405. |
Solubility Data
| Solubility (In Vitro) |
DMSO: 125 mg/mL (146.19 mM) H2O: ≥ 5.88 mg/mL (6.88 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (2.43 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 20.8 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: 25 mg/mL (29.24 mM) in Saline (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication (<60°C). Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.1695 mL | 5.8475 mL | 11.6949 mL | |
| 5 mM | 0.2339 mL | 1.1695 mL | 2.3390 mL | |
| 10 mM | 0.1169 mL | 0.5847 mL | 1.1695 mL |