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Ferroptosis-IN-4

CAT: 0804-HY-149719Size: 1 EachDry Ice: NoHazardous: No
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Description
Ferroptosis-IN-4 (compound 6k) is a ferroptosis inhibitor with EC50 value of 20 μM. Ferroptosis-IN-4 has no obvious cytotoxicity. Ferroptosis-IN-4 has a protective effect in glycerol-induced RM-AKI mice with alleviating kidney dysfunction[1].
CAS Number
2798922-35-5
UNSPSC
12352005
Target
Ferroptosis
Type
Reference compound
Related Pathways
Apoptosis
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/ferroptosis-in-4.html
Solubility
10 mM in DMSO
Smiles
CN(CCN(C)C)C1=CC=C(N2C(C)=C(O)C(C=C2)=O)C=C1.Cl
Molecular Formula
C17H24ClN3O2
Molecular Weight
337.84
References & Citations
[1]Jie Cen, et al. Synthesis and structure-activity optimization of hydroxypyridinones against rhabdomyolysis-induced acute kidney injury. Eur J Med Chem. 2023.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Ferroptosis-IN-4
CAS Number2798922-35-5
PubChem CID164579212
IUPAC Name1-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]-3-hydroxy-2-methylpyridin-4-one;hydrochloride
Molecular FormulaC17H24ClN3O2
Molecular Weight337.8
Topological Polar Surface Area47
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity463
SMILES
CC1=C(C(=O)C=CN1C2=CC=C(C=C2)N(C)CCN(C)C)O.Cl
InChI
InChI=1S/C17H23N3O2.ClH/c1-13-17(22)16(21)9-10-20(13)15-7-5-14(6-8-15)19(4)12-11-18(2)3;/h5-10,22H,11-12H2,1-4H3;1H
InChIKey
CWEFSCNNSFOMAD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ferroptosis-IN-4
CAS: 2798922-35-5
CID: 164579212
Formula: C17H24ClN3O2
MW: 337.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight337.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass337.1557047
Monoisotopic Mass337.1557047
Topological Polar Surface Area47 Ų
Heavy Atom Count23
Formal Charge0
Complexity463
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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