Physicochemical Properties
| Molecular Formula | C43H47FN8O11 |
| Molecular Weight | 870.9 |
| Exact Mass | 870.3348 |
| CAS # | 2866301-18-8 |
| PubChem CID | 171361076 |
| Appearance | Off-white to light yellow solid powder |
| LogP | -0.5 |
| Hydrogen Bond Donor Count | 7 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 17 |
| Heavy Atom Count | 63 |
| Complexity | 1860 |
| Defined Atom Stereocenter Count | 3 |
| SMILES | CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C5[C@H](CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)NC(=O)OCCOCNC(=O)CNC(=O)[C@H](CC7=CC=CC=C7)NC(=O)CNC(=O)CN)O |
| InChi Key | MEANSBFOEJBQOJ-BMANKKTJSA-N |
| InChi Code | InChI=1S/C43H47FN8O11/c1-3-43(60)27-14-32-38-25(19-52(32)40(57)26(27)20-63-41(43)58)37-29(10-9-24-22(2)28(44)15-30(50-38)36(24)37)51-42(59)62-12-11-61-21-48-34(54)17-47-39(56)31(13-23-7-5-4-6-8-23)49-35(55)18-46-33(53)16-45/h4-8,14-15,29,31,60H,3,9-13,16-21,45H2,1-2H3,(H,46,53)(H,47,56)(H,48,54)(H,49,55)(H,51,59)/t29-,31-,43-/m0/s1 |
| Chemical Name | 2-[[[2-[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]methoxy]ethyl N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]carbamate |
| Synonyms | GGFG-amide-glycol-amide-Exatecan; 2866301-18-8; |
| 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
| Targets | Topoisomerase; Camptothecins |
| References |
[1]. Exatecan derivatives and antibody-drug conjugates thereof. WO2022236136A1. |
Solubility Data
| Solubility (In Vitro) | DMSO : 100 mg/mL (114.83 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (2.87 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 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 (2.87 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 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 (2.87 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 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 | 1.1482 mL | 5.7412 mL | 11.4824 mL | |
| 5 mM | 0.2296 mL | 1.1482 mL | 2.2965 mL | |
| 10 mM | 0.1148 mL | 0.5741 mL | 1.1482 mL |