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EIF4E-IN-2

CAT: 0804-HY-145262-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-145262-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
EIF4E-IN-2 is a potent inhibitor of eukaryotic initiation factor 4e (eIF4e) with an IC50 of 13 nM. eIF4E-IN-2 inhibits MDA-MB-361 cells proliferation. eIF4E-IN-2 can be used for the study of breast cancer[1].
CAS Number
2575840-38-7
UNSPSC
12352005
Target
Eukaryotic Initiation Factor (eIF)
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/eif4e-in-2.html
Purity
98.76
Solubility
DMSO : 50 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
N#CC1=C(N(C2CCN(C3CC(F)(C3)F)CC2)C)N=CC(N=C(C)N4CC#CC5=CC=C(C=C5C6=CC=NC7=C6SC=C7C(NS(=O)(C)=O)=O)Cl)=C1C4=O
Molecular Formula
C37H33ClF2N8O4S2
Molecular Weight
791.29
References & Citations
[1]Samuel Sperry, et al. Eif4e-inhibiting 4-oxo-3,4-dihydropyrido[3,4-d]pyrimidine compounds. Patent WO2021003157A1.
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

eIF4E-IN-2
CAS Number2575840-38-7
PubChem CID155463665
IUPAC Name7-[5-chloro-2-[3-[5-cyano-6-[[1-(3,3-difluorocyclobutyl)piperidin-4-yl]-methylamino]-2-methyl-4-oxopyrido[3,4-d]pyrimidin-3-yl]prop-1-ynyl]phenyl]-N-methylsulfonylthieno[3,2-b]pyridine-3-carboxamide
Molecular FormulaC37H33ClF2N8O4S2
Molecular Weight791.3
XLogP4.8
Topological Polar Surface Area189
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Heavy Atom Count54
Formal Charge0
Complexity1710
SMILES
CC1=NC2=CN=C(C(=C2C(=O)N1CC#CC3=C(C=C(C=C3)Cl)C4=C5C(=NC=C4)C(=CS5)C(=O)NS(=O)(=O)C)C#N)N(C)C6CCN(CC6)C7CC(C7)(F)F
InChI
InChI=1S/C37H33ClF2N8O4S2/c1-21-44-30-19-43-34(46(2)24-9-13-47(14-10-24)25-16-37(39,40)17-25)28(18-41)31(30)36(50)48(21)12-4-5-22-6-7-23(38)15-27(22)26-8-11-42-32-29(20-53-33(26)32)35(49)45-54(3,51)52/h6-8,11,15,19-20,24-25H,9-10,12-14,16-17H2,1-3H3,(H,45,49)
InChIKey
QYMHJCNNNOKGHG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of eIF4E-IN-2
CAS: 2575840-38-7
CID: 155463665
Formula: C37H33ClF2N8O4S2
MW: 791.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight791.3
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Exact Mass790.1722779
Monoisotopic Mass790.1722779
Topological Polar Surface Area189 Ų
Heavy Atom Count54
Formal Charge0
Complexity1710
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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