| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Targets |
Topoisomerase I. As a camptothecin analog, Deruxtecan and its analogs function as topoisomerase I inhibitors, stabilizing the DNA-enzyme complex to prevent DNA re-ligation, leading to the accumulation of DNA double-strand breaks and cell death.
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| ln Vitro |
In cell-free assays, Deruxtecan analog 2 monoTFA exhibits potent anti-proliferative activity, typically with IC50 values in the nanomolar to low micromolar range. The payload is intended to be highly cytotoxic to dividing cells, while the linker ensures the payload is delivered intracellularly.
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| ln Vivo |
When conjugated to a tumor-specific antibody, the resulting ADC demonstrates potent in vivo anti-tumor activity. In mouse xenograft models, it induces significant tumor growth inhibition and regression. The ADC's activity is a direct result of the potent topoisomerase I inhibition by the released payload.
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| Enzyme Assay |
A general cell‑free protocol for evaluating potency: Cancer cells (e.g., HER2-positive NCI-N87 cells) are seeded in 96-well plates and treated with the final ADC for 72-96 hours. Cell viability is measured by a luminescent ATP-based assay (CellTiter-Glo) to calculate the half-maximal inhibitory concentration (IC50).
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| Cell Assay |
A general cellular protocol for the final ADC: Cells expressing the target antigen are plated in 96-well plates. The ADC is added in a 10-point, 5-fold serial dilution. Plates are incubated for 72-96 hours, after which cell viability is determined using a CellTiter-Glo assay. Data is analyzed using GraphPad Prism to obtain IC50 values.
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| Animal Protocol |
A general animal protocol for the ADC: Mice bearing xenografts of target-positive tumors are treated intravenously with the Deruxtecan analog 2-based ADC (e.g., 10 mg/kg). Tumor volume is measured every 3-4 days. Treatment typically continues for 3-4 weeks, and the percent tumor growth inhibition (%TGI) is calculated on the final day.
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| ADME/Pharmacokinetics |
General PK protocol for the ADC: The ADC is administered IV to cynomolgus monkeys. Blood samples are collected over 21 days. The concentration of total antibody in serum is measured by a qualified ELISA. Concentrations of the released payload are measured in plasma by LC-MS/MS to assess ADC stability and payload release.
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| Toxicity/Toxicokinetics |
General toxicity for this ADC would be evaluated in a 28-day repeat-dose IV study in cynomolgus monkeys. Doses of 10, 30, and 100 mg/kg would be administered once weekly. Parameters include clinical signs, body weight, food consumption, hematology, serum chemistry, and histopathology of major organs, especially the bone marrow and gastrointestinal tract.
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| Additional Infomation |
This compound is a homologue of the clinically successful ADC payload, Deruxtecan, which is used in the FDA-approved drug Enhertu (trastuzumab deruxtecan). The monoTFA salt form is used to enhance solubility and stability. Its molecular formula is C31H31F4N5O9, and its molecular weight is 693.60 g/mol. This product is for research use only.
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| Molecular Formula |
C31H31F4N5O9
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|---|---|
| Molecular Weight |
693.60
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| Exact Mass |
693.206
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| CAS # |
2758874-59-6
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| PubChem CID |
171038191
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| Appearance |
Solid powder
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| Hydrogen Bond Donor Count |
5
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| Hydrogen Bond Acceptor Count |
15
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
49
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| Complexity |
1320
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| Defined Atom Stereocenter Count |
2
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| SMILES |
CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C5[C@H](CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)NC(=O)COCNC(=O)CN)O.C(=O)(C(F)(F)F)O
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| InChi Key |
DXZHUKXYWJZGIG-XUEJMOKYSA-N
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| InChi Code |
InChI=1S/C29H30FN5O7.C2HF3O2/c1-3-29(40)17-6-21-26-15(9-35(21)27(38)16(17)10-42-28(29)39)25-19(33-23(37)11-41-12-32-22(36)8-31)5-4-14-13(2)18(30)7-20(34-26)24(14)25;3-2(4,5)1(6)7/h6-7,19,40H,3-5,8-12,31H2,1-2H3,(H,32,36)(H,33,37);(H,6,7)/t19-,29-;/m0./s1
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| Chemical Name |
2-amino-N-[[2-[[(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]amino]-2-oxoethoxy]methyl]acetamide;2,2,2-trifluoroacetic acid
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| HS Tariff Code |
2934.99.9001
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| 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)
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| Solubility (In Vitro) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.4418 mL | 7.2088 mL | 14.4175 mL | |
| 5 mM | 0.2884 mL | 1.4418 mL | 2.8835 mL | |
| 10 mM | 0.1442 mL | 0.7209 mL | 1.4418 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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