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5-LOX-IN-2

CAT: 0804-HY-138939-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-138939-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
5-LOX-IN-2, an inhibitor of 5-lipoxygenase (5-LOX) with an IC50 of 0.33 μM, inhibits 5-LOX in a dose-dependent manner . 5-LOX-IN-2, reduces the cell viability of renal cancer cells and induces apoptosis, can be used for cancer research[1].
CAS Number
179691-97-5
UNSPSC
12352005
Target
Lipoxygenase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/5-lox-in-2.html
Purity
98.75
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(OCCC1=CC=CC=C1)/C=C/C2=CC(O)=CC=C2O
Molecular Formula
C17H16O4
Molecular Weight
284.31
References & Citations
[1]Selka A, et.al. Discovery of a novel 2,5-dihydroxycinnamic acid-based 5-lipoxygenase inhibitor that induces apoptosis and may impair autophagic flux in RCC4 renal cancer cells. Eur J Med Chem. 2019 Oct 1;179:347-357.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
5-LOX

Chemical Information

phenethyl (E)-3-(2,5-dihydroxyphenyl)prop-2-enoate
CAS Number179691-97-5
PubChem CID5909099
IUPAC Name2-phenylethyl (E)-3-(2,5-dihydroxyphenyl)prop-2-enoate
Molecular FormulaC17H16O4
Molecular Weight284.31
XLogP3.4
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count21
Formal Charge0
Complexity347
SMILES
C1=CC=C(C=C1)CCOC(=O)/C=C/C2=C(C=CC(=C2)O)O
InChI
InChI=1S/C17H16O4/c18-15-7-8-16(19)14(12-15)6-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2/b9-6+
InChIKey
OQKRMXDGEFRBAJ-RMKNXTFCSA-N
Chemical Structure
2D Structure
2D structure of phenethyl (E)-3-(2,5-dihydroxyphenyl)prop-2-enoate
CAS: 179691-97-5
CID: 5909099
Formula: C17H16O4
MW: 284.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight284.31
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass284.10485899
Monoisotopic Mass284.10485899
Topological Polar Surface Area66.8 Ų
Heavy Atom Count21
Formal Charge0
Complexity347
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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