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Mal-GGG-Bal-NHS ester

Cat No.:V84236 Purity: ≥98%
Mal-GGG-Bal-NHS ester
Mal-GGG-Bal-NHS ester Chemical Structure CAS No.: 1193111-65-7
Product category: ADC Linker
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
1mg
5mg
Other Sizes
Official Supplier of:
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Product Description
Mal-GGG-Bal-NHS ester is an ADC linker that can be used to synthesize antibody-conjugated molecules (ADCs).
Mal-GGG-Bal-NHS ester is an ADC linker that facilitates the synthesis of antibody-drug conjugates (ADCs). It contains an NHS ester group (N-hydroxysuccinimide) that enables efficient conjugation to peptides, proteins, or other biomolecules. The compound is often utilized in the synthesis of targeted therapeutics, antibody-drug conjugates, or biomolecule-labeling applications. It has a molecular formula of C21H26N6O10 and a molecular weight of 522.47.
Biological Activity I Assay Protocols (From Reference)
Targets
Mal-GGG-Bal-NHS ester targets the conjugation of cytotoxic agents or payloads to antibodies in ADC synthesis. As an ADC linker, it does not have a direct biological target but serves as a chemical tool for drug delivery and biomolecule labeling. The NHS ester group enables efficient conjugation to primary amines on proteins or peptides. It is used in the synthesis of targeted therapeutics and ADC development.
ln Vitro
In vitro activity of Mal-GGG-Bal-NHS ester is demonstrated by its function as an ADC linker in the synthesis of antibody-drug conjugates. It facilitates the conjugation of cytotoxic agents to antibodies. The resulting ADCs are evaluated for their ability to bind to target antigens and deliver cytotoxic payloads. The linker's stability and release properties are critical for ADC activity.
ln Vivo
In vivo activity of Mal-GGG-Bal-NHS ester is not directly applicable, as the compound is a linker used in ADC synthesis rather than a therapeutic agent itself. The activity of ADCs synthesized using this linker would be evaluated in vivo. These ADCs are designed for targeted delivery of cytotoxic agents to cancer cells.
Enzyme Assay
The in vitro enzyme/receptor binding assay for Mal-GGG-Bal-NHS ester is not applicable, as the compound is a chemical linker rather than a pharmacologically active agent. The synthesis and characterization of ADCs using this linker involve chemical conjugation reactions. The purity and functionality of the linker are assessed using analytical chemistry methods such as HPLC and mass spectrometry.
Cell Assay
In vitro cell-based assays for Mal-GGG-Bal-NHS ester are not directly applicable, as the compound is a linker used in ADC synthesis. ADCs synthesized using this linker would be evaluated in cell-based assays to assess binding affinity to target antigens, internalization, and cytotoxicity against cancer cell lines. Standard protocols include antigen binding assays, flow cytometry, and cell viability assays.
Animal Protocol
In vivo animal studies for Mal-GGG-Bal-NHS ester are not directly applicable, as the compound is a linker used in ADC synthesis. ADCs synthesized using this linker would be evaluated in xenograft mouse models to assess tumor growth inhibition, pharmacokinetics, and toxicity. Standard protocols include administration of the ADC, monitoring of tumor volume, and assessment of body weight and clinical signs.
ADME/Pharmacokinetics
Pharmacokinetic properties of Mal-GGG-Bal-NHS ester include a molecular weight of 522.47 and a molecular formula of C21H26N6O10. Solubility includes H2O: 50 mg/mL (ultrasonic). As an ADC linker, its pharmacokinetic properties would be determined by the final ADC conjugate. Detailed pharmacokinetic data are not available from the search results.
Toxicity/Toxicokinetics
Toxicity information for Mal-GGG-Bal-NHS ester is limited. As a research-use chemical, standard safety precautions for handling should be followed. The compound is designated for research use only and is not for human therapeutic applications. No specific toxicity data are available from the search results.
References

[1].Beck A, et, al. Strategies and challenges for the next generation of antibody-drug conjugates. Nat Rev Drug Discov. 2017 May;16(5):315-337.

Additional Infomation
Mal-GGG-Bal-NHS ester is an ADC linker that facilitates the synthesis of antibody-drug conjugates (ADCs). It contains an NHS ester group that enables efficient conjugation to peptides, proteins, or other biomolecules. It is used in targeted therapeutics, ADC development, and biomolecule-labeling applications. It has a molecular formula of C21H26N6O10 and a molecular weight of 522.47.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Exact Mass
522.171
CAS #
1193111-65-7
PubChem CID
57945503
Appearance
White to off-white solid powder
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
10
Rotatable Bond Count
15
Heavy Atom Count
37
Complexity
989
Defined Atom Stereocenter Count
0
SMILES
C1CC(=O)N(C1=O)OC(=O)CCNC(=O)CNC(=O)CNC(=O)CNC(=O)CCCN2C(=O)C=CC2=O
InChi Key
NFJWAGOKMMRHHY-UHFFFAOYSA-N
InChi Code
InChI=1S/C21H26N6O10/c28-13(2-1-9-26-17(32)3-4-18(26)33)23-11-15(30)25-12-16(31)24-10-14(29)22-8-7-21(36)37-27-19(34)5-6-20(27)35/h3-4H,1-2,5-12H2,(H,22,29)(H,23,28)(H,24,31)(H,25,30)
Chemical Name
(2,5-dioxopyrrolidin-1-yl) 3-[[2-[[2-[[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoate
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)
H2O :~50 mg/mL (~95.70 mM; with sonication)
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.)
Calculator

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

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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)
  • Click the “Calculate” button
  • 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:
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  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
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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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