Physicochemical Properties
| Molecular Formula | C26H41N5O7S |
| Molecular Weight | 567.70 |
| Exact Mass | 567.272 |
| CAS # | 89889-52-1 |
| PubChem CID | 16219024 |
| Appearance | Off-white to light yellow solid powder |
| Density | 1.3±0.1 g/cm3 |
| Melting Point | 147-151ºC |
| Index of Refraction | 1.579 |
| LogP | -1.83 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 19 |
| Heavy Atom Count | 39 |
| Complexity | 886 |
| Defined Atom Stereocenter Count | 3 |
| SMILES | C1CC(=O)N(C1=O)OC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3 |
| InChi Key | ATYCFNRXENKXSE-MHPIHPPYSA-N |
| InChi Code | InChI=1S/C26H41N5O7S/c32-20(27-16-8-2-4-12-24(36)38-31-22(34)13-14-23(31)35)10-3-1-7-15-28-21(33)11-6-5-9-19-25-18(17-39-19)29-26(37)30-25/h18-19,25H,1-17H2,(H,27,32)(H,28,33)(H2,29,30,37)/t18-,19-,25-/m0/s1 |
| Chemical Name | (2,5-dioxopyrrolidin-1-yl) 6-[6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]hexanoate |
| 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 requires protection from light (avoid light exposure) during transportation and storage.(2). Please store this product in a sealed and protected environment (e.g. under nitrogen), 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 | The process of biotinylating antibodies involves reacting with the protein in its aqueous phase at pH 7.4 using Biotin-LC-LC-NHS (1 mg/mL in dimethyl formamide). In the labeling reaction, the molar ratio of biotin to antibody was 10:1, with a final concentration of 70 μM of biotin [1]. |
| References |
[1]. Immunoassays Based on Electrochemical Detection Using Microelectrode Arrays. Biosens Bioelectron. 2004 Nov 1;20(4):736-42. [2]. Synthesis and Biological Evaluation of a Biotinylated Paclitaxel With an Extra-Long Chain Spacer Arm. ACS Med Chem Lett . 2012 Sep 13;3(9):745-748. |
Solubility Data
| Solubility (In Vitro) | DMSO: 125 mg/mL (220.19 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (3.66 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 20.8 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: ≥ 2.08 mg/mL (3.66 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 3: ≥ 2.08 mg/mL (3.66 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 20.8 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 | 1.7615 mL | 8.8075 mL | 17.6149 mL | |
| 5 mM | 0.3523 mL | 1.7615 mL | 3.5230 mL | |
| 10 mM | 0.1761 mL | 0.8807 mL | 1.7615 mL |