Physicochemical Properties
| Molecular Formula | C25H21N3O4 |
| Molecular Weight | 427.4519 |
| Exact Mass | 427.153 |
| CAS # | 1395786-30-7 |
| PubChem CID | 77078149 |
| Appearance | Light yellow to brown solid powder |
| Density | 1.4±0.1 g/cm3 |
| Boiling Point | 790.5±60.0 °C at 760 mmHg |
| Flash Point | 431.9±32.9 °C |
| Vapour Pressure | 0.0±2.8 mmHg at 25°C |
| Index of Refraction | 1.688 |
| LogP | 3.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Heavy Atom Count | 32 |
| Complexity | 849 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | NHFQNAGPXIVKND-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C25H21N3O4/c29-22(14-16-27-23(30)11-12-24(27)31)26-15-13-25(32)28-17-20-7-2-1-5-18(20)9-10-19-6-3-4-8-21(19)28/h1-8,11-12H,13-17H2,(H,26,29) |
| Chemical Name | N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-3-(2,5-dioxopyrrol-1-yl)propanamide |
| 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, 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 ADC is made up of a preamplifier, to which the ADC input connects the ADC cytotoxic. |
| References |
[1]. Modified antibody and radioactive metal-labelled antibody. WO2019203191A1. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~125 mg/mL (~292.43 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.87 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 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 (4.87 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 (4.87 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 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 | 2.3395 mL | 11.6973 mL | 23.3945 mL | |
| 5 mM | 0.4679 mL | 2.3395 mL | 4.6789 mL | |
| 10 mM | 0.2339 mL | 1.1697 mL | 2.3395 mL |