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EPHA4 antagonist-1

CAT: 0804-HY-W078239Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-W078239Size:1 Each
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Description
EPHA4 antagonist-1 (Compound 2) is an EphA4 receptor antagonist. EPHA4 antagonist-1 is also an EphA2 receptor antagonist. EPHA4 antagonist-1 inhibits ephrin-A5 AP binding to EphA4 Fc receptor, with an IC50 of 10 μM[1].
CAS Number
313701-92-7
UNSPSC
12352005
Hazard Statement
H315-H317-H318
Target
Ephrin Receptor
Related Pathways
Protein Tyrosine Kinase/RTK
Field of Research
Cancer
Smiles
O=C(C1=CC(N2C(C)=CC=C2C)=CC=C1O)O
Molecular Formula
C13H13NO3
Molecular Weight
231.25
Precautions
P261-P264-P272-P280-P302+P352-P362+P364-P501
References & Citations
[1]Noberini R, et al. A disalicylic acid-furanyl derivative inhibits ephrin binding to a subset of Eph receptors. Chem Biol Drug Des. 2011 Oct;78 (4) :667-78.
Shipping Conditions
Room temperature
Scientific Category
Reference compound2
Clinical Information
No Development Reported
Isoform
EphA

Chemical Information

5-(2,5-Dimethyl-pyrrol-1-yl)-2-hydroxy-benzoic acid
CAS Number313701-92-7
PubChem CID776870
IUPAC Name5-(2,5-dimethylpyrrol-1-yl)-2-hydroxybenzoic acid
Molecular FormulaC13H13NO3
Molecular Weight231.25
XLogP3.7
Topological Polar Surface Area62.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity284
SMILES
CC1=CC=C(N1C2=CC(=C(C=C2)O)C(=O)O)C
InChI
InChI=1S/C13H13NO3/c1-8-3-4-9(2)14(8)10-5-6-12(15)11(7-10)13(16)17/h3-7,15H,1-2H3,(H,16,17)
InChIKey
LBDOGIZEEBHJSE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(2,5-Dimethyl-pyrrol-1-yl)-2-hydroxy-benzoic acid
CAS: 313701-92-7
CID: 776870
Formula: C13H13NO3
MW: 231.25
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight231.25
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass231.08954328
Monoisotopic Mass231.08954328
Topological Polar Surface Area62.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity284
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