CN128 HCl (CN328) is an orally bioactive, selective iron chelator. CN128 may be used in beta-thalassemia research.

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)

Biological Activity

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.

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. 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.