| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
Non-cleavable Linker
The primary targets of Ald-Ph-NHS ester are the linker structures in ADC technology. As a non-degradable linker, it connects the antibody to the cytotoxic payload through NHS ester-amine conjugation and aldehyde-based chemistry. The compound is a heterobifunctional building block that can be used for the conjugation of various biomolecules. It does not directly bind to enzymes or receptors but serves as a structural component. |
|---|---|
| ln Vitro |
In vitro, Ald-Ph-NHS ester functions as a structural linker for ADC synthesis and bioconjugation. The NHS ester group reacts with primary amines on antibodies, while the aldehyde group can be used for further conjugation reactions. This heterobifunctional nature allows for the creation of stable ADCs and other bioconjugates. The compound itself does not exhibit direct cellular activity but enables the bioactivity of the conjugated therapeutic agent.
|
| ln Vivo |
In vivo activity of Ald-Ph-NHS ester is realized through the ADC constructs in which it is incorporated. As a non-degradable linker, it provides stability to the ADC in circulation, ensuring the cytotoxic payload remains attached until target cell engagement. The linker's stability contributes to the overall efficacy of the ADC. The in vivo efficacy depends on the specific antibody and payload used in the conjugate.
|
| Enzyme Assay |
In vitro enzyme/receptor binding assays for Ald-Ph-NHS ester focus on evaluating the stability and reactivity of the linker. The compound is tested for its ability to conjugate to antibodies via NHS ester-amine reaction. The conjugation efficiency is monitored by HPLC or mass spectrometry. The stability of the linker under physiological conditions is also assessed by incubating in buffer solutions at 37°C.
|
| Cell Assay |
In vitro cellular assays for Ald-Ph-NHS ester involve testing the complete ADC molecule rather than the linker alone. Cancer cell lines are treated with the ADC, and cell viability is assessed using CCK-8 or MTT assays after 72 hours. The linker's contribution to ADC stability and activity is evaluated by comparing the activity of the ADC with that of the unconjugated payload. The linker itself does not directly affect cell viability.
|
| Animal Protocol |
In vivo animal studies for Ald-Ph-NHS ester are conducted using the final ADC construct. Tumor-bearing xenograft models receive the ADC via intravenous injection. Tumor volume and body weight are monitored over 2-4 weeks to assess efficacy and tolerability. The linker contributes to the stability and PK profile of the ADC. Detailed in vivo protocols are similar to those used for other ADC linkers.
|
| ADME/Pharmacokinetics |
The pharmacokinetic properties of Ald-Ph-NHS ester are determined by the ADC in which it is incorporated. The compound has a molecular weight of 247.20 and a molecular formula of C₁₂H₉NO₅. It is a non-degradable linker, providing stability to the ADC in circulation. The linker's stability contributes to a favorable PK profile for the ADC, with prolonged half-life and reduced off-target toxicity.
|
| Toxicity/Toxicokinetics |
The toxicity profile of Ald-Ph-NHS ester is associated with the ADC in which it is used. As a linker compound, it is considered to have low intrinsic toxicity. Standard toxicity studies for the final ADC include assessment of body weight changes, clinical observations, hematological parameters, and histopathological examination of major organs in animal models. The linker itself does not exhibit significant cytotoxic effects.
|
| Additional Infomation |
Ald-Ph-NHS ester (CAS 60444-78-2) has a molecular formula of C₁₂H₉NO₅ and a molecular weight of 247.20. The compound appears as a white to off-white solid powder with a purity of ≥98%. It is a non-degradable linker used for antibody-drug conjugation (ADC) and is a heterobifunctional building block. It is used in the conjugation of oligonucleotides to antibodies and in the synthesis of fluorescent probes. The compound is intended for research use only and is not approved for clinical use.
|
| Molecular Formula |
C12H9NO5
|
|---|---|
| Molecular Weight |
247.20
|
| Exact Mass |
247.048
|
| CAS # |
60444-78-2
|
| PubChem CID |
4126130
|
| Appearance |
White to off-white solid powder
|
| Density |
1.4±0.1 g/cm3
|
| Boiling Point |
425.4±47.0 °C at 760 mmHg
|
| Melting Point |
163ºC
|
| Flash Point |
211.1±29.3 °C
|
| Vapour Pressure |
0.0±1.0 mmHg at 25°C
|
| Index of Refraction |
1.606
|
| LogP |
-0.2
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
5
|
| Rotatable Bond Count |
4
|
| Heavy Atom Count |
18
|
| Complexity |
368
|
| Defined Atom Stereocenter Count |
0
|
| InChi Key |
VHYRHFNOWKMCHQ-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C12H9NO5/c14-7-8-1-3-9(4-2-8)12(17)18-13-10(15)5-6-11(13)16/h1-4,7H,5-6H2
|
| Chemical Name |
(2,5-dioxopyrrolidin-1-yl) 4-formylbenzoate
|
| 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)
|
| Solubility (In Vitro) |
DMSO : 100 mg/mL (404.53 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (10.11 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 (10.11 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (10.11 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.0453 mL | 20.2265 mL | 40.4531 mL | |
| 5 mM | 0.8091 mL | 4.0453 mL | 8.0906 mL | |
| 10 mM | 0.4045 mL | 2.0227 mL | 4.0453 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
