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Lepadin E

CAT: 0013-GTR19218985-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19218985-01Size:25 mg
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Description
Lepadin E is a cytotoxic small molecule that induces ferroptosis by activating the p53-SLC7A11-GPX4 axis, leading to increased ROS, lipid peroxidation, and ACSL4 expression. Its potent antitumor activity makes it a valuable tool for studying ferroptosis mechanisms in cancer research, both in vitro and in vivo.
CAS Number
444914-19-6
Field of Research
Cell Biology, Metabolism Research
Smiles
C (CCC[C@@H] (CCC) O) [C@@H]1[C@]2 ([C@] (N[C@@H] (C) [C@H] (OC (/C=C/CCCCC) =O) C2) (CCC1) [H]) [H]
Molecular Formula
C26H47NO3
Molecular Weight
421.66
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2S,3R,4aS,5S,8aR)-5-((R)-5-Hydroxyoctyl)-2-methyldecahydroquinolin-3-yl (E)-oct-2-enoate
CAS Number444914-19-6
PubChem CID11464334
IUPAC Name[(2S,3R,4aS,5S,8aR)-5-[(5R)-5-hydroxyoctyl]-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-yl] (E)-oct-2-enoate
Molecular FormulaC26H47NO3
Molecular Weight421.7
XLogP7.2
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count14
Heavy Atom Count30
Formal Charge0
Complexity507
SMILES
CCCCC/C=C/C(=O)O[C@@H]1C[C@H]2[C@H](CCC[C@H]2N[C@H]1C)CCCC[C@@H](CCC)O
InChI
InChI=1S/C26H47NO3/c1-4-6-7-8-9-18-26(29)30-25-19-23-21(14-10-11-16-22(28)13-5-2)15-12-17-24(23)27-20(25)3/h9,18,20-25,27-28H,4-8,10-17,19H2,1-3H3/b18-9+/t20-,21-,22+,23-,24+,25+/m0/s1
InChIKey
QNAATLGQMSSVEO-HOLZRJRLSA-N
Chemical Structure
2D Structure
2D structure of (2S,3R,4aS,5S,8aR)-5-((R)-5-Hydroxyoctyl)-2-methyldecahydroquinolin-3-yl (E)-oct-2-enoate
CAS: 444914-19-6
CID: 11464334
Formula: C26H47NO3
MW: 421.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight421.7
XLogP37.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count14
Exact Mass421.35559436
Monoisotopic Mass421.35559436
Topological Polar Surface Area58.6 Ų
Heavy Atom Count30
Formal Charge0
Complexity507
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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