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CN128

Alias: CN 128; CN-128
Cat No.:V38706 Purity: ≥98%
CN128 HCl (CN328) is an orally bioactive, selective iron chelator.
CN128
CN128 Chemical Structure CAS No.: 1335282-05-7
Product category: New2
This product is for research use only, not for human use. We do not sell to patients.
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Product Description
CN128 HCl (CN328) is an orally bioactive, selective iron chelator. CN128 may be used in beta-thalassemia research.
Biological Activity I Assay Protocols (From Reference)
ln Vitro
When it comes to iron(III), CN128 hydrochloride is more selective than other metals [1].
ln Vivo
Rats that are given CN128 hydrochloride (450 μmol/kg; po) show good iron scavenging efficacy [1]. There is a dose-dependent pattern to CN128's iron-removing effectiveness [1]. It is not genotoxic to use CN128 hydrochloride [1]. After oral administration of 75 μmol/kg in rats, CN128 hydrochloride (ig) has a low clearance rate, a high maximum plasma concentration, and good oral bioavailability (82.6%) [1]. Rats showed good tolerance to CN128 hydrochloride, and no fatalities were reported at increased dosage levels [1].
Animal Protocol
Animal/Disease Models: Male SD rat (300 g) [1]
Doses: 450 μmol/kg
Route of Administration: po (oral gavage) 1 hour after injection of 59Fe-ferritin.
Experimental Results: It demonstrated good iron scavenging activity.

Animal/Disease Models: SD (SD (Sprague-Dawley)) rat (200~250 g) [1]
Doses: 75 μmol/kg (pharmacokinetic/PK/PK analysis)
Route of Administration: Oral administration
Experimental Results: AUC value = 16.38 mg/L·h, Cmax = 8.671 mg/L.
References

[1]. CN128: A New Orally Active Hydroxypyridinone Iron Chelator. J Med Chem. 2020 Apr 23;63(8):4215-4226.

These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C15H18CLNO3
Molecular Weight
295.761323451996
Exact Mass
295.097
CAS #
1335282-05-7
PubChem CID
89953504
Appearance
Off-white to light brown solid powder
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Heavy Atom Count
20
Complexity
394
Defined Atom Stereocenter Count
1
SMILES
Cl.OC[C@@H](CC1C=CC=CC=1)N1C=CC(C(=C1C)O)=O
InChi Key
CYFDKXLBMMEWNV-BTQNPOSSSA-N
InChi Code
InChI=1S/C15H17NO3.ClH/c1-11-15(19)14(18)7-8-16(11)13(10-17)9-12-5-3-2-4-6-12;/h2-8,13,17,19H,9-10H2,1H3;1H/t13-;/m1./s1
Chemical Name
3-hydroxy-1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyridin-4-one;hydrochloride
Synonyms
CN 128; CN-128
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, 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 : ~100 mg/mL (~338.11 mM)
DMSO : ~28.57 mg/mL (~96.60 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.86 mg/mL (9.67 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 28.6 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: ≥ 2.86 mg/mL (9.67 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 28.6 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.

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Solubility in Formulation 3: ≥ 2.86 mg/mL (9.67 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 28.6 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 3.3811 mL 16.9056 mL 33.8112 mL
5 mM 0.6762 mL 3.3811 mL 6.7622 mL
10 mM 0.3381 mL 1.6906 mL 3.3811 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:

  • Calculate the Mass of a compound required to prepare a solution of known volume and concentration
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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:
  • 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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  • The answer appears in the Volume (to add to vial) box
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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