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4E1rcat

CAT: 0013-GTR19162584-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19162584-01Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
4E1RCat is a dual inhibitor of eIF4E:eIF4G and eIF4E:4E-BP1 interaction, and inhibits the binding of eIF4G to eIF4E with IC50 of 3.2 μM.
CAS Number
328998-25-0
Product Name Alternative
EIF4E/eIF4G Interaction Inhibitor II
Purity
>98% (HPLC)
Solubility
DMSO: 96 mg/mL (200.64 mM)
Smiles
O=C1/C (C=C (C2=CC=CC=C2) N1C3=CC=C (C (O) =O) C=C3) =C\C4=CC=C (C5=CC=C ([N+] ([O-]) =O) C=C5) O4
Molecular Formula
C28H18N2O6
Molecular Weight
478.45
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
(Z) -4- (3- ((5- (4-nitrophenyl) furan-2-yl) methylene) -2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-1-yl) benzoic acid

Chemical Information

4-[(3E)-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2-oxo-5-phenylpyrrol-1-yl]benzoic acid
CAS Number328998-25-0
PubChem CID16195554
IUPAC Name4-[(3E)-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2-oxo-5-phenylpyrrol-1-yl]benzoic acid
Molecular FormulaC28H18N2O6
Molecular Weight478.5
XLogP5.3
Topological Polar Surface Area117
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count36
Formal Charge0
Complexity901
SMILES
C1=CC=C(C=C1)C2=C/C(=C\C3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])/C(=O)N2C5=CC=C(C=C5)C(=O)O
InChI
InChI=1S/C28H18N2O6/c31-27-21(16-24-14-15-26(36-24)19-6-12-23(13-7-19)30(34)35)17-25(18-4-2-1-3-5-18)29(27)22-10-8-20(9-11-22)28(32)33/h1-17H,(H,32,33)/b21-16+
InChIKey
BBQRBOIMSKMFFO-LTGZKZEYSA-N
Chemical Structure
2D Structure
2D structure of 4-[(3E)-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2-oxo-5-phenylpyrrol-1-yl]benzoic acid
CAS: 328998-25-0
CID: 16195554
Formula: C28H18N2O6
MW: 478.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight478.5
XLogP35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass478.11648630
Monoisotopic Mass478.11648630
Topological Polar Surface Area117 Ų
Heavy Atom Count36
Formal Charge0
Complexity901
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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