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LOC1886

CAT: 0804-HY-155952-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-155952-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
LOC1886 is a covalent inhibitor of GPX4 with slightly lower potency than RSL3 and ML162[1].
CAS Number
951948-38-2
UNSPSC
12352005
Target
Glutathione Peroxidase
Related Pathways
Apoptosis; Metabolic Enzyme/Protease
Field of Research
Cancer
Smiles
O=C(N1C=NC=C1)C2=CC3=C(N2)C=CC=C3OC
Molecular Formula
C13H11N3O2
Molecular Weight
241.25
References & Citations
[1]Liu H, et al. Small-molecule allosteric inhibitors of GPX4. Cell Chem Biol. 2022 Dec 15;29 (12) :1680-1693.e9.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

1H-imidazol-1-yl(4-methoxy-1H-indol-2-yl)methanone
CAS Number951948-38-2
PubChem CID17598286
IUPAC Nameimidazol-1-yl-(4-methoxy-1H-indol-2-yl)methanone
Molecular FormulaC13H11N3O2
Molecular Weight241.24
XLogP2
Topological Polar Surface Area59.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity323
SMILES
COC1=CC=CC2=C1C=C(N2)C(=O)N3C=CN=C3
InChI
InChI=1S/C13H11N3O2/c1-18-12-4-2-3-10-9(12)7-11(15-10)13(17)16-6-5-14-8-16/h2-8,15H,1H3
InChIKey
KVCZCNUNOCVNIE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1H-imidazol-1-yl(4-methoxy-1H-indol-2-yl)methanone
CAS: 951948-38-2
CID: 17598286
Formula: C13H11N3O2
MW: 241.24
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight241.24
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass241.085126602
Monoisotopic Mass241.085126602
Topological Polar Surface Area59.9 Ų
Heavy Atom Count18
Formal Charge0
Complexity323
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

Alternative Products

CatalogName
GTR19241326-01LOC1886

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