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Ferroptosis-IN-19

CAT: 0931-T206279-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T206279-01Size:10 mg
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CAS Number
3025114-13-7
Target
Ferroptosis
Related Pathways
Apoptosis
Bioactivity
Ferroptosis-IN-19 is a potent inhibitor of cellular ferroptosis, with an IC50 value of 0.097 μM. It demonstrates high metabolic stability and excellent predicted blood-brain barrier permeability. In mice, Ferroptosis-IN-19 has neuroprotective effects and can prevent ischemic brain damage.
Smiles
ClC1=CC(=CC=C1OC)NC2=C(N=C3C=CC=CN32)C4CCCCC4
Molecular Formula
C20H22ClN3O
Molecular Weight
355.861
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(3-chloro-4-methoxyphenyl)-2-cyclohexylimidazo[1,2-a]pyridin-3-amine
CAS Number3025114-13-7
PubChem CID177823069
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-cyclohexylimidazo[1,2-a]pyridin-3-amine
Molecular FormulaC20H22ClN3O
Molecular Weight355.9
XLogP6.4
Topological Polar Surface Area38.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity431
SMILES
COC1=C(C=C(C=C1)NC2=C(N=C3N2C=CC=C3)C4CCCCC4)Cl
InChI
InChI=1S/C20H22ClN3O/c1-25-17-11-10-15(13-16(17)21)22-20-19(14-7-3-2-4-8-14)23-18-9-5-6-12-24(18)20/h5-6,9-14,22H,2-4,7-8H2,1H3
InChIKey
MFGMARCLSMCZSS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3-chloro-4-methoxyphenyl)-2-cyclohexylimidazo[1,2-a]pyridin-3-amine
CAS: 3025114-13-7
CID: 177823069
Formula: C20H22ClN3O
MW: 355.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight355.9
XLogP36.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass355.1451400
Monoisotopic Mass355.1451400
Topological Polar Surface Area38.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity431
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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