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2-TEDC

CAT: 0804-HY-101051-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-101051-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
2-TEDC is a potent inhibitor of 5-, 12-, and 15-lipoxygenase with IC50 values of 0.09 μM, 0.013 μM and 0.5 μM, respectively. 2-TEDC can be used for the research of atheroscrelosi[1].
CAS Number
132465-10-2
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Lipoxygenase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Metabolic Disease; Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/2-tedc.html
Concentration
10mM
Purity
99.58
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(OCCC1=CC=CS1)/C(C#N)=C/C2=CC=C(O)C(O)=C2
Molecular Formula
C16H13NO4S
Molecular Weight
315.34
Precautions
H302, H315, H319, H335
References & Citations
[1]H Cho, et al. Novel caffeic acid derivatives: extremely potent inhibitors of 12-lipoxygenase. J Med Chem. 1991 Apr;34 (4) :1503-5.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-thiophen-2-ylethyl (E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoate
CAS Number132465-10-2
PubChem CID6069552
IUPAC Name2-thiophen-2-ylethyl (E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoate
Molecular FormulaC16H13NO4S
Molecular Weight315.3
XLogP3.1
Topological Polar Surface Area119
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count22
Formal Charge0
Complexity470
SMILES
C1=CSC(=C1)CCOC(=O)/C(=C/C2=CC(=C(C=C2)O)O)/C#N
InChI
InChI=1S/C16H13NO4S/c17-10-12(8-11-3-4-14(18)15(19)9-11)16(20)21-6-5-13-2-1-7-22-13/h1-4,7-9,18-19H,5-6H2/b12-8+
InChIKey
KCGLTUBCAGZLHP-XYOKQWHBSA-N
Chemical Structure
2D Structure
2D structure of 2-thiophen-2-ylethyl (E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoate
CAS: 132465-10-2
CID: 6069552
Formula: C16H13NO4S
MW: 315.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight315.3
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass315.05652907
Monoisotopic Mass315.05652907
Topological Polar Surface Area119 Ų
Heavy Atom Count22
Formal Charge0
Complexity470
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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