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Ald-Ph-PEG4-acid

Cat No.:V10734 Purity: ≥98%
Ald-Ph-amido-PEG4-C2-acid is a non-cleavable (non-degradable) linker for Antibody-drug conjugates (ADC).
Ald-Ph-PEG4-acid
Ald-Ph-PEG4-acid Chemical Structure CAS No.: 1309460-27-2
Product category: New1
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
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Product Description
Ald-Ph-amido-PEG4-C2-acid is a non-cleavable (non-degradable) linker for Antibody-drug conjugates (ADC).
Ald-Ph-PEG4-acid (CAS# 1309460-27-2) is a polyethylene glycol (PEG)-based linker containing an aldehyde group, a phenyl ring, and a carboxylic acid. With a molecular formula of C₁₈H₂₇NO₇ and a molecular weight of approximately 369.41 g/mol, this heterobifunctional compound is used in bioconjugation, PROTAC synthesis, and drug delivery. The aldehyde group allows for site-specific conjugation to amine groups via reductive amination or to hydrazines, while the carboxylic acid enables amide bond formation. The PEG4 spacer provides aqueous solubility and flexibility.
Biological Activity I Assay Protocols (From Reference)
Targets
As a linker, Ald-Ph-PEG4-acid does not have a traditional biological target. Its role is to connect two functional molecules. In PROTACs, it links an E3 ligase ligand to a target protein binder; in ADCs, it connects an antibody to a drug payload. The aldehyde can react with N-terminal amines or hydrazides, while the acid can be activated to an NHS ester for coupling to amines.
ln Vitro
In vitro, Ald-Ph-PEG4-acid is used to synthesize bioconjugates. Its utility is demonstrated by the successful formation of stable conjugates via reductive amination or amide bond formation. The PEG spacer improves solubility and reduces aggregation of the conjugates. The phenyl ring may provide additional hydrophobicity or rigidity. These properties are characterized by HPLC and mass spectrometry.
ln Vivo
In vivo applications of Ald-Ph-PEG4-acid are realized through the conjugates it helps construct. The PEG4 linker contributes to the conjugate's pharmacokinetic properties by increasing hydrodynamic volume and reducing renal clearance. The aldehyde moiety can be used for reversible conjugation, which may be useful for targeted drug release. The compound is a research tool.
Enzyme Assay
In vitro assays for Ald-Ph-PEG4-acid typically involve demonstrating its reactivity. Reductive amination with a model amine compound can be monitored by HPLC or NMR. Amide bond formation with a primary amine after NHS activation can also be verified. These protocols are for research purposes.
Cell Assay
In vitro cell-based assays are not performed with the linker alone; they are performed on the final conjugate. For PROTACs, target degradation is assessed by Western blot. For ADCs, cytotoxicity is measured in target-expressing cell lines. The linker's contribution to solubility and cellular uptake can be inferred from comparative studies.
Animal Protocol
In vivo animal studies are conducted with the final conjugate. Typical protocols involve xenograft tumor models for ADCs or PROTACs. The conjugate is administered intravenously, and tumor growth inhibition is assessed. Pharmacokinetic studies evaluate the half-life and distribution of the conjugate, which are influenced by the linker's properties.
ADME/Pharmacokinetics
The pharmacokinetic properties of Ald-Ph-PEG4-acid are not independently characterized. The PEG4 spacer provides moderate hydrophilicity. The compound is stored as a powder at -20°C. It is soluble in DMSO and water.
Toxicity/Toxicokinetics
The toxicity profile of the linker itself is considered low, as PEGylated linkers are generally biocompatible. The toxicity of the final conjugate depends on the payload. Standard safety precautions for handling chemicals apply.
Additional Infomation
Additional information: Ald-Ph-PEG4-acid contains a benzaldehyde group. It is a heterobifunctional PEG linker for bioconjugation. This product is for research use only and is not approved for clinical or therapeutic applications.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C19H27NO8
Molecular Weight
397.4196
Exact Mass
397.173
CAS #
1309460-27-2
PubChem CID
53486138
Appearance
Off-white to light yellow viscous liquid
LogP
-0.4
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
8
Rotatable Bond Count
17
Heavy Atom Count
28
Complexity
438
Defined Atom Stereocenter Count
0
SMILES
C1=CC(=CC=C1C=O)C(=O)NCCOCCOCCOCCOCCC(=O)O
InChi Key
BRYBRKJZWQVXNZ-UHFFFAOYSA-N
InChi Code
InChI=1S/C19H27NO8/c21-15-16-1-3-17(4-2-16)19(24)20-6-8-26-10-12-28-14-13-27-11-9-25-7-5-18(22)23/h1-4,15H,5-14H2,(H,20,24)(H,22,23)
Chemical Name
3-[2-[2-[2-[2-[(4-formylbenzoyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
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.
Shipping Condition
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
Solubility Data
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
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
(e.g. IP/IV/IM/SC)
Injection Formulation 1: DMSO : Tween 80: Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution 50 μL Tween 80 850 μL Saline)
*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 : PEG300Tween 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).
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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)]
*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.
Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin 500 μL Saline)
Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO 100 μLPEG300 200 μL castor oil 650 μL Saline)
Injection Formulation 7: Ethanol : Cremophor : Saline = 10: 10 : 80 (i.e. 100 μL Ethanol 100 μL Cremophor 800 μL Saline)
Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline
Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH 900 μL Corn oil)
Injection Formulation 10: EtOH : PEG300Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH 400 μLPEG300 50 μL Tween 80 450 μL 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).
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Oral Formulation 3: Dissolved in PEG400
Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose
Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose
Oral Formulation 6: Mixing with food powders


Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 2.5162 mL 12.5811 mL 25.1623 mL
5 mM 0.5032 mL 2.5162 mL 5.0325 mL
10 mM 0.2516 mL 1.2581 mL 2.5162 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.

Calculator

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An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
  • Enter 350.26 in the Molecular Weight (MW) box
  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
  • Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
  • Enter 25 into the Concentration (End) box and select the correct unit (mM)
  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
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  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:
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Definitions of molecular mass, molecular weight, molar mass and molar weight:
  • Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

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In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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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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