| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
|
||
| 10mg |
|
||
| 50mg |
|
||
| 100mg |
|
||
| 250mg | |||
| Other Sizes |
| Targets |
Mal-PEG4-Val-Cit-PAB-PNP does not have a biological target itself. Its "target" is the enzymatic machinery inside cells. The Val-Cit dipeptide is a substrate for cathepsin B, a protease that is often overexpressed in the tumor microenvironment. Upon internalization of the ADC into the target cell, the linker is cleaved by cathepsin B, releasing the cytotoxic payload. The maleimide group enables conjugation to antibodies.
|
|---|---|
| ln Vitro |
ADC cytotoxins are connected to antibodies through an ADC connector to form ADCs [1].
In vitro, Mal-PEG4-Val-Cit-PAB-PNP is not evaluated for biological activity. Its performance is characterized by its chemical reactivity and its ability to be cleaved by specific enzymes. Its cleavability is often tested in vitro by incubating the complete ADC with cathepsin B to confirm the release of the payload. |
| ln Vivo |
In vivo, Mal-PEG4-Val-Cit-PAB-PNP is not administered alone. Its cleavable nature is designed to ensure that the cytotoxic payload is released specifically within the target cancer cell, after the ADC has been internalized. This targeted release is a key strategy in ADC therapy to increase efficacy and reduce off-target toxicity.
|
| Enzyme Assay |
In vitro enzyme/receptor binding studies are not applicable to Mal-PEG4-Val-Cit-PAB-PNP. Its characterization is chemical and enzymatic. Its cleavability is confirmed by exposing the linker or a conjugate to cathepsin B and analyzing the cleavage products.
|
| Cell Assay |
In vitro cellular assays are not performed with Mal-PEG4-Val-Cit-PAB-PNP alone. The activity of the linker is evaluated as part of a complete ADC, with the key readout being the specific killing of target cells.
|
| Animal Protocol |
In vivo animal studies for Mal-PEG4-Val-Cit-PAB-PNP are not conducted on the linker alone. Its performance is evaluated through the in vivo efficacy of the complete ADC in xenograft mouse models.
|
| ADME/Pharmacokinetics |
Pharmacokinetic properties of Mal-PEG4-Val-Cit-PAB-PNP are not characterized independently. Its properties influence the PK of the complete ADC. Key characteristics include its molecular weight (871.89 g/mol), formula (C40H53N7O15), and the presence of the PEG spacer.
|
| Toxicity/Toxicokinetics |
Mal-PEG4-Val-Cit-PAB-PNP is a research chemical and is not intended for human therapeutic use. As a chemical reagent, it should be handled with appropriate laboratory safety precautions.
|
| References | |
| Additional Infomation |
Mal-PEG4-Val-Cit-PAB-PNP is a research-use-only chemical building block used as a cleavable ADC linker. Its CAS number is 2112738-09-5. It is a key component in the development of ADCs and is not approved for clinical use.
|
| Molecular Formula |
C40H53N7O15
|
|---|---|
| Molecular Weight |
871.886730909348
|
| Exact Mass |
871.359
|
| CAS # |
2112738-09-5
|
| PubChem CID |
129009586
|
| Appearance |
Light yellow to yellow solid powder
|
| LogP |
0.7
|
| Hydrogen Bond Donor Count |
5
|
| Hydrogen Bond Acceptor Count |
15
|
| Rotatable Bond Count |
30
|
| Heavy Atom Count |
62
|
| Complexity |
1480
|
| Defined Atom Stereocenter Count |
2
|
| SMILES |
O=C([C@H](C(C)C)NC(CCOCCOCCOCCOCCN1C(C=CC1=O)=O)=O)N[C@H](C(NC1C=CC(COC(=O)OC2C=CC(=CC=2)[N+](=O)[O-])=CC=1)=O)CCCNC(N)=O
|
| InChi Key |
ZEPYLTPLLQQBNX-IKYOIFQTSA-N
|
| InChi Code |
InChI=1S/C40H53N7O15/c1-27(2)36(45-33(48)15-18-57-20-22-59-24-25-60-23-21-58-19-17-46-34(49)13-14-35(46)50)38(52)44-32(4-3-16-42-39(41)53)37(51)43-29-7-5-28(6-8-29)26-61-40(54)62-31-11-9-30(10-12-31)47(55)56/h5-14,27,32,36H,3-4,15-26H2,1-2H3,(H,43,51)(H,44,52)(H,45,48)(H3,41,42,53)/t32-,36-/m0/s1
|
| Chemical Name |
[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[3-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl (4-nitrophenyl) carbonate
|
| 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: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 (~114.69 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (2.39 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 (2.39 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.1469 mL | 5.7347 mL | 11.4693 mL | |
| 5 mM | 0.2294 mL | 1.1469 mL | 2.2939 mL | |
| 10 mM | 0.1147 mL | 0.5735 mL | 1.1469 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
