Physicochemical Properties
| Molecular Formula | C18H16N2O4S2 |
| Molecular Weight | 388.46064 |
| Exact Mass | 388.055 |
| CAS # | 112241-19-7 |
| PubChem CID | 130706 |
| Appearance | Light yellow to yellow solid powder |
| Density | 1.43g/cm3 |
| Boiling Point | 547ºC at 760mmHg |
| Flash Point | 284.6ºC |
| Vapour Pressure | 5.11E-12mmHg at 25°C |
| Index of Refraction | 1.675 |
| LogP | 3.741 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Heavy Atom Count | 26 |
| Complexity | 521 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | GKSPIZSKQWTXQG-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C18H16N2O4S2/c1-12(25-26-15-4-2-3-11-19-15)13-5-7-14(8-6-13)18(23)24-20-16(21)9-10-17(20)22/h2-8,11-12H,9-10H2,1H3 |
| Chemical Name | (2,5-dioxopyrrolidin-1-yl) 4-[1-(pyridin-2-yldisulfanyl)ethyl]benzoate |
| 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
| ln Vitro | ADC cytotoxins are connected to antibodies through an ADC connector to form ADCs [1]. |
| References |
[1]. Strategies and challenges for the next generation of antibody-drug conjugates. Nat Rev Drug Discov. 2017 May;16(5):315-337. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~200 mg/mL (~514.85 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 5 mg/mL (12.87 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 50.0 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: ≥ 5 mg/mL (12.87 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 50.0 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 | 2.5743 mL | 12.8713 mL | 25.7427 mL | |
| 5 mM | 0.5149 mL | 2.5743 mL | 5.1485 mL | |
| 10 mM | 0.2574 mL | 1.2871 mL | 2.5743 mL |