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EIF4E-IN-4

CAT: 0804-HY-148664Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-148664Size:1 Each
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Description
EIF4E-IN-4 (Compound 33) is a selective inhibitor of eukaryotic initiation factor 4E (eIF4E) with biochemical activity value of 95 nM. eIF4E-IN-4 inhibits cap-dependent mRNA translation with an IC50 value of 2.5 μM. eIF4E-IN-4 can be used for breast cancer, colon cancer, and head and neck cancer study[1].
CAS Number
1373822-39-9
UNSPSC
12352005
Target
Eukaryotic Initiation Factor (eIF)
Related Pathways
Cell Cycle/DNA Damage
Applications
Cancer-programmed cell death
Field of Research
Cancer
Smiles
O=C1N=C(NC)NC2=C1N(CCOC3=CC=C(C=C3)Cl)C(C4=CC=C(P(O)(O)=O)C=C4)=N2
Molecular Formula
C20H19ClN5O5P
Molecular Weight
475.82
References & Citations
[1]Chen X, et al. Structure-guided design, synthesis, and evaluation of guanine-derived inhibitors of the eIF4E mRNA-cap interaction. J Med Chem. 2012 Apr 26;55 (8) :3837-51.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(4-{7-[2-(4-Chlorophenoxy)ethyl]-2-(Methylamino)-6-Oxo-6,7-Dihydro-1h-Purin-8-Yl}phenyl)phosphonic Acid
CAS Number1373822-39-9
PubChem CID135566702
IUPAC Name[4-[7-[2-(4-chlorophenoxy)ethyl]-2-(methylamino)-6-oxo-1H-purin-8-yl]phenyl]phosphonic acid
Molecular FormulaC20H19ClN5O5P
Molecular Weight475.8
XLogP1.2
Topological Polar Surface Area138
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity751
SMILES
CNC1=NC2=C(C(=O)N1)N(C(=N2)C3=CC=C(C=C3)P(=O)(O)O)CCOC4=CC=C(C=C4)Cl
InChI
InChI=1S/C20H19ClN5O5P/c1-22-20-24-17-16(19(27)25-20)26(10-11-31-14-6-4-13(21)5-7-14)18(23-17)12-2-8-15(9-3-12)32(28,29)30/h2-9H,10-11H2,1H3,(H2,28,29,30)(H2,22,24,25,27)
InChIKey
MCYZBWKMUOPJOU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (4-{7-[2-(4-Chlorophenoxy)ethyl]-2-(Methylamino)-6-Oxo-6,7-Dihydro-1h-Purin-8-Yl}phenyl)phosphonic Acid
CAS: 1373822-39-9
CID: 135566702
Formula: C20H19ClN5O5P
MW: 475.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight475.8
XLogP31.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass475.0812334
Monoisotopic Mass475.0812334
Topological Polar Surface Area138 Ų
Heavy Atom Count32
Formal Charge0
Complexity751
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

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