Physicochemical Properties
Molecular Formula | C15H18N2O4S2 |
Molecular Weight | 354.444421291351 |
Exact Mass | 354.07 |
CAS # | 890409-85-5 |
PubChem CID | 57901154 |
Appearance | White to off-white solid powder |
LogP | 1.6 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 8 |
Heavy Atom Count | 23 |
Complexity | 454 |
Defined Atom Stereocenter Count | 0 |
SMILES | O=C(CCC(C)(C)SSC1C=CC=CN=1)ON1C(=O)CCC1=O |
InChi Key | GOJXFKVHNIGABU-UHFFFAOYSA-N |
InChi Code | InChI=1S/C15H18N2O4S2/c1-15(2,23-22-11-5-3-4-10-16-11)9-8-14(20)21-17-12(18)6-7-13(17)19/h3-5,10H,6-9H2,1-2H3 |
Chemical Name | (2,5-dioxopyrrolidin-1-yl) 4-methyl-4-(pyridin-2-yldisulfanyl)pentanoate |
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 |
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
Targets | Disulfide Cleavable Linker |
References |
[1]. Bicyclic peptide-toxin conjugates specific for mt1-mmp. WO2017191460A1. |
Solubility Data
Solubility (In Vitro) | DMSO : 100 mg/mL (282.14 mM) |
Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.05 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 (7.05 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 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 3: ≥ 2.5 mg/mL (7.05 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 | 2.8214 mL | 14.1068 mL | 28.2135 mL | |
5 mM | 0.5643 mL | 2.8214 mL | 5.6427 mL | |
10 mM | 0.2821 mL | 1.4107 mL | 2.8214 mL |