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Ferroptosis-IN-5

CAT: 0931-T86416-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T86416-01Size:25 mg
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CAS Number
2991058-60-5
Target
Ferroptosis
Related Pathways
Apoptosis
Bioactivity
Ferroptosis-IN-5 (compound 9c) acts as a ferroptosis inhibitor, boasting iron-chelating and reactive oxygen species (ROS) scavenging properties [1].
Smiles
N(C(/C=C/C1=CC(F)=CC=C1)=O)N2C(C)=C(O)C(=O)C=C2
Molecular Formula
C15H13FN2O3
Molecular Weight
288.27
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ferroptosis-IN-5
CAS Number2991058-60-5
PubChem CID169450793
IUPAC Name(E)-3-(3-fluorophenyl)-N-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)prop-2-enamide
Molecular FormulaC15H13FN2O3
Molecular Weight288.27
XLogP2.2
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity525
SMILES
CC1=C(C(=O)C=CN1NC(=O)/C=C/C2=CC(=CC=C2)F)O
InChI
InChI=1S/C15H13FN2O3/c1-10-15(21)13(19)7-8-18(10)17-14(20)6-5-11-3-2-4-12(16)9-11/h2-9,21H,1H3,(H,17,20)/b6-5+
InChIKey
ZGRSRURVKJMPBB-AATRIKPKSA-N
Chemical Structure
2D Structure
2D structure of Ferroptosis-IN-5
CAS: 2991058-60-5
CID: 169450793
Formula: C15H13FN2O3
MW: 288.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight288.27
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass288.09102044
Monoisotopic Mass288.09102044
Topological Polar Surface Area69.6 Ų
Heavy Atom Count21
Formal Charge0
Complexity525
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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