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Me-triacetyl-β-D-glucopyranuronate-Ph-ald-NO2

Alias: MetriacetylβDglucopyranuronatePhaldNO2; Me triacetyl β D glucopyranuronate Ph ald NO2
Cat No.:V38669 Purity: ≥98%
Me-triacetyl-β-D-glucopyranuronate-Ph-ald-NO2 is a degradable ADC linker used for the synthesis of ADC.
Me-triacetyl-β-D-glucopyranuronate-Ph-ald-NO2
Me-triacetyl-β-D-glucopyranuronate-Ph-ald-NO2 Chemical Structure CAS No.: 148579-93-5
Product category: New2
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
50mg
100mg
Other Sizes
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Product Description
Me-triacetyl-β-D-glucopyranuronate-Ph-ald-NO2 is a degradable ADC linker used for the synthesis of ADC.
Biological Activity I Assay Protocols (From Reference)
ln Vitro
An ADC cytotoxin is connected to an antibody by use of an ADC linker to form an ADC.
References
[1]. Benatuil, Lorenzo, et al. Anti-B7-H3 antibodies and antibody drug conjugates. WO2017214339.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C₂₀H₂₁NO₁₃
Molecular Weight
483.38
Exact Mass
483.101
CAS #
148579-93-5
PubChem CID
10648513
Appearance
Typically exists as solid at room temperature
Density
1.4±0.1 g/cm3
Boiling Point
582.6±50.0 °C at 760 mmHg
Flash Point
219.6±32.1 °C
Vapour Pressure
0.0±1.6 mmHg at 25°C
Index of Refraction
1.550
LogP
2.62
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
13
Rotatable Bond Count
11
Heavy Atom Count
34
Complexity
809
Defined Atom Stereocenter Count
5
SMILES
O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1C(=O)OC)OC(C)=O)OC(C)=O)OC(C)=O)OC1C=CC(C=O)=CC=1[N+](=O)[O-]
InChi Key
MHAQOFAFDHVKQE-KVIJGQROSA-N
InChi Code
InChI=1S/C20H21NO13/c1-9(23)30-15-16(31-10(2)24)18(32-11(3)25)20(34-17(15)19(26)29-4)33-14-6-5-12(8-22)7-13(14)21(27)28/h5-8,15-18,20H,1-4H3/t15-,16-,17-,18+,20+/m0/s1
Chemical Name
methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-(4-formyl-2-nitrophenoxy)oxane-2-carboxylate
Synonyms
MetriacetylβDglucopyranuronatePhaldNO2; Me triacetyl β D glucopyranuronate Ph ald NO2
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 and light.
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)
DMSO : ~200 mg/mL (~413.75 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.17 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 (5.17 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 900 μL of corn oil and mix evenly.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 2.0688 mL 10.3438 mL 20.6877 mL
5 mM 0.4138 mL 2.0688 mL 4.1375 mL
10 mM 0.2069 mL 1.0344 mL 2.0688 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

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:
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  • 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

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Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
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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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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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