![Boc-Val-Ala-PAB ((S)-2-(BOC-amino)-N-[(S)-1-[[4-(hydroxymethyl)phenyl]amino]-1-oxo-2 -propyl]-3-methylbutanamide)](/upload/1124/hy-136547.png)
| Size | Price | Stock | Qty |
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| 100mg |
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| 500mg |
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| Other Sizes |
| Targets |
As a chemical linker for ADC synthesis, Boc-Val-Ala-PAB does not have a defined biological target. Its role is to serve as a cleavable connector between an antibody and a cytotoxic payload in antibody-drug conjugates. The Val-Ala dipeptide is cleavable by cathepsin enzymes, enabling intracellular drug release. The PAB spacer facilitates efficient payload release after enzymatic cleavage.
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| ln Vitro |
In cell-free biochemical systems, this linker is used to synthesize antibody-drug conjugates. The Boc group can be removed to reveal a free amine for conjugation to the antibody, while the PAB group provides a self-immolative spacer for payload attachment. The Val-Ala sequence provides a cathepsin-cleavable linkage that enables controlled drug release.
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| ln Vivo |
This compound does not exhibit direct cellular activity as it is a chemical linker rather than a bioactive molecule. Antibody-drug conjugates constructed using this linker can be delivered to target cells where the antibody binds to cell surface antigens, followed by internalization into lysosomes. The Val-Ala dipeptide is cleaved by cathepsin enzymes in the lysosomes, leading to the release of the cytotoxic payload.
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| Enzyme Assay |
The cell-free assay for this linker involves conjugation reactions between the linker and the antibody or payload. The Boc group can be removed under acidic conditions to reveal a free amine for conjugation. The efficiency of conjugation is assessed by mass spectrometry, SDS-PAGE, or HPLC analysis. The cleavability of the Val-Ala bond can be confirmed by treatment with cathepsin B enzyme, followed by analysis of payload release by HPLC or mass spectrometry.
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| Cell Assay |
No cell-based experimental protocols are directly applicable to this linker as it is a chemical synthesis reagent. Antibody-drug conjugates synthesized using this linker can be evaluated in cell culture experiments. Typical protocols include treating cancer cell lines with the ADC at concentrations ranging from 0.001 to 10 μg/mL. Cells are incubated for 24-96 hours, and cell viability is assessed using MTT or CCK-8 assays.
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| Animal Protocol |
This linker is not administered to animals as it is a chemical intermediate for ADC synthesis. Antibody-drug conjugates incorporating this linker may be evaluated in animal models for pharmacokinetics and efficacy. Typical studies involve administration of the ADC to tumor-bearing mice via intravenous routes at doses ranging from 0.1-10 mg/kg. Tumor volumes are measured, and tissues are collected for analysis of ADC distribution and payload release.
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| ADME/Pharmacokinetics |
As a chemical reagent, this compound does not have established pharmacokinetic properties. The pharmacokinetics of ADCs incorporating this linker depend on the antibody, payload, and overall conjugate properties. The cathepsin-cleavable Val-Ala linker influences payload release kinetics in target cells. The compound itself is not intended for therapeutic use and is not administered systemically.
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| Toxicity/Toxicokinetics |
The compound is not intended for therapeutic use and lacks established toxicity profiles. Standard laboratory safety precautions should be observed when handling this chemical reagent. The compound is typically stored at low temperatures for research use. It is for research use only and is not for human therapeutic applications.
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| References |
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| Additional Infomation |
Boc-Val-Ala-PAB is a research-grade chemical supplied for ADC linker synthesis applications. It is not an approved pharmaceutical and has no clinical trial history. The compound is a cathepsin-cleavable ADC linker used in the synthesis of antibody-drug conjugates. This product is intended for research use only.
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| Molecular Formula |
C20H31N3O5
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| Molecular Weight |
393.477245569229
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| Exact Mass |
393.226
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| CAS # |
1884577-99-4
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| PubChem CID |
100029289
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| Appearance |
White to off-white solid powder
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| LogP |
2.1
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
9
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| Heavy Atom Count |
28
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| Complexity |
536
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| Defined Atom Stereocenter Count |
2
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| SMILES |
O(C(N[C@H](C(N[C@H](C(NC1C=CC(CO)=CC=1)=O)C)=O)C(C)C)=O)C(C)(C)C
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| InChi Key |
AWZITSKTOAURSJ-BBRMVZONSA-N
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| InChi Code |
InChI=1S/C20H31N3O5/c1-12(2)16(23-19(27)28-20(4,5)6)18(26)21-13(3)17(25)22-15-9-7-14(11-24)8-10-15/h7-10,12-13,16,24H,11H2,1-6H3,(H,21,26)(H,22,25)(H,23,27)/t13-,16-/m0/s1
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| Chemical Name |
tert-butyl N-[(2S)-1-[[(2S)-1-[4-(hydroxymethyl)anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
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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 |
| 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 | 2.5414 mL | 12.7071 mL | 25.4143 mL | |
| 5 mM | 0.5083 mL | 2.5414 mL | 5.0829 mL | |
| 10 mM | 0.2541 mL | 1.2707 mL | 2.5414 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
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