Physicochemical Properties
Molecular Formula | C22H20FN3O4 |
Molecular Weight | 409.41 |
Exact Mass | 409.143 |
CAS # | 2378616-23-8 |
Related CAS # | 7-Aminomethyl-10-methyl-11-fluoro camptothecin TFA |
PubChem CID | 155242571 |
Appearance | White to off-white solid powder |
LogP | 0.3 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 2 |
Heavy Atom Count | 30 |
Complexity | 857 |
Defined Atom Stereocenter Count | 1 |
SMILES | N1C2C(=CC(C)=C(F)C=2)C(CN)=C2CN3C(C=12)=CC1[C@](CC)(O)C(=O)OCC=1C3=O |
InChi Key | QTGYMFHSEPDEQO-QFIPXVFZSA-N |
InChi Code | InChI=1S/C22H20FN3O4/c1-3-22(29)15-5-18-19-13(8-26(18)20(27)14(15)9-30-21(22)28)12(7-24)11-4-10(2)16(23)6-17(11)25-19/h4-6,29H,3,7-9,24H2,1-2H3/t22-/m0/s1 |
Chemical Name | (19S)-10-(aminomethyl)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione |
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
References |
[1]. Synthesis and Evaluation of Camptothecin Antibody-Drug Conjugates. ACS Med Chem Lett. 2019 Sep 6;10(10):1386-1392. |
Solubility Data
Solubility (In Vitro) | DMSO : 60 mg/mL (146.55 mM) |
Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.5 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 15.0 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 to the above solution and mix evenly; then add 450 μL of 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: ≥ 1.5 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 15.0 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: ≥ 1.5 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 15.0 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 | 2.4425 mL | 12.2127 mL | 24.4254 mL | |
5 mM | 0.4885 mL | 2.4425 mL | 4.8851 mL | |
10 mM | 0.2443 mL | 1.2213 mL | 2.4425 mL |