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CN128 (hydrochloride)

CAT: 0804-HY-131060-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-131060-01Size:5 mg
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Description
CN128 hydrochloride (CN328) is an orally active and selective iron chelator. CN128 is used for the research of β-thalassemia[1].
CAS Number
1335282-05-7
Product Name Alternative
CN328
UNSPSC
12352005
Target
Ferroptosis
Type
Reference compound
Related Pathways
Apoptosis
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/cn128.html
Purity
98.15
Solubility
DMSO : 28.57 mg/mL (ultrasonic) |H2O : 100 mg/mL (ultrasonic)
Smiles
O=C1C(O)=C(C)N([C@@H](CO)CC2=CC=CC=C2)C=C1.[H]Cl
Molecular Formula
C15H18ClNO3
Molecular Weight
295.76
References & Citations
[1]Wenteng Chen, et al. CN128: A New Orally Active Hydroxypyridinone Iron Chelator. J Med Chem. 2020 Apr 23;63 (8) :4215-4226.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
Phase 2

Chemical Information

CN128 hydrochloride
CAS Number1335282-05-7
PubChem CID89953504
IUPAC Name3-hydroxy-1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyridin-4-one;hydrochloride
Molecular FormulaC15H18ClNO3
Molecular Weight295.76
Topological Polar Surface Area60.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity394
SMILES
CC1=C(C(=O)C=CN1[C@H](CC2=CC=CC=C2)CO)O.Cl
InChI
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
InChIKey
CYFDKXLBMMEWNV-BTQNPOSSSA-N
Chemical Structure
2D Structure
2D structure of CN128 hydrochloride
CAS: 1335282-05-7
CID: 89953504
Formula: C15H18ClNO3
MW: 295.76
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight295.76
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass295.0975211
Monoisotopic Mass295.0975211
Topological Polar Surface Area60.8 Ų
Heavy Atom Count20
Formal Charge0
Complexity394
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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