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4E2RCat

CAT: 0804-HY-100733-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-100733-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
4E2RCat is an inhibitor of eIF4E-eIF4G interaction with an IC50 of 13.5 μM.
CAS Number
432499-63-3
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Autophagy; Eukaryotic Initiation Factor (eIF) ; Virus Protease
Type
Reference compound
Related Pathways
Anti-infection; Autophagy; Cell Cycle/DNA Damage
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/4E2RCat.html
Purity
98.0
Solubility
DMSO : 23.33 mg/mL (ultrasonic)
Smiles
O=C(O)C1=CC(C2=CC=C(/C=C(SC(N3CC4=CC=CC=C4)=S)/C3=O)O2)=CC=C1Cl
Molecular Formula
C22H14ClNO4S2
Molecular Weight
455.93
Precautions
H302, H315, H319, H335
References & Citations
[1]Cencic R, et al. Blocking eIF4E-eIF4G interaction as a strategy to impair coronavirus replication. J Virol. 2011 Jul;85 (13) :6381-9.
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
EIF4

Chemical Information

4E2RCat
CAS Number432499-63-3
PubChem CID2287236
IUPAC Name5-[5-[(Z)-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]-2-chlorobenzoic acid
Molecular FormulaC22H14ClNO4S2
Molecular Weight455.9
XLogP5.4
Topological Polar Surface Area128
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity724
SMILES
C1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC=C(O3)C4=CC(=C(C=C4)Cl)C(=O)O)/SC2=S
InChI
InChI=1S/C22H14ClNO4S2/c23-17-8-6-14(10-16(17)21(26)27)18-9-7-15(28-18)11-19-20(25)24(22(29)30-19)12-13-4-2-1-3-5-13/h1-11H,12H2,(H,26,27)/b19-11-
InChIKey
WOBPZFKXPCYOLU-ODLFYWEKSA-N
Chemical Structure
2D Structure
2D structure of 4E2RCat
CAS: 432499-63-3
CID: 2287236
Formula: C22H14ClNO4S2
MW: 455.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight455.9
XLogP35.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass455.0052780
Monoisotopic Mass455.0052780
Topological Polar Surface Area128 Ų
Heavy Atom Count30
Formal Charge0
Complexity724
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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