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EIF4A-IN-3

CAT: 0013-GTR19264384-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19264384-01Size:50 mg
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Description
EIF4A-IN-3 (Compound 71E) is an inhibitor of the eukaryotic translation initiation factor 4A (eIF4A) . This compound can be utilized as a cytotoxic payload for antibody-drug conjugates (ADCs) .
CAS Number
3095005-44-7
Field of Research
Cell Biology
Smiles
O[C@]12[C@] ([C@@H] (C[C@@H]1CN) C3=CC (NC (OC (C) (C) C) =O) =CC=C3) (OC=4C2=C (OC) C=C (C4) C5=NC=CO5) C6=CC=C (OC) C=C6
Molecular Formula
C34H37N3O7
Molecular Weight
599.67
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

tert-butyl N-[3-[(1R,3S,3aR,8bR)-1-(aminomethyl)-8b-hydroxy-8-methoxy-3a-(4-methoxyphenyl)-6-(1,3-oxazol-2-yl)-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-3-yl]phenyl]carbamate
CAS Number3095005-44-7
PubChem CID178203403
IUPAC Nametert-butyl N-[3-[(1R,3S,3aR,8bR)-1-(aminomethyl)-8b-hydroxy-8-methoxy-3a-(4-methoxyphenyl)-6-(1,3-oxazol-2-yl)-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-3-yl]phenyl]carbamate
Molecular FormulaC34H37N3O7
Molecular Weight599.7
XLogP4.3
Topological Polar Surface Area138
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count44
Formal Charge0
Complexity1000
SMILES
CC(C)(C)OC(=O)NC1=CC=CC(=C1)[C@@H]2C[C@@H]([C@@]3([C@]2(OC4=C3C(=CC(=C4)C5=NC=CO5)OC)C6=CC=C(C=C6)OC)O)CN
InChI
InChI=1S/C34H37N3O7/c1-32(2,3)44-31(38)37-24-8-6-7-20(15-24)26-18-23(19-35)33(39)29-27(41-5)16-21(30-36-13-14-42-30)17-28(29)43-34(26,33)22-9-11-25(40-4)12-10-22/h6-17,23,26,39H,18-19,35H2,1-5H3,(H,37,38)/t23-,26+,33-,34+/m1/s1
InChIKey
BNFIJGYXVIORQU-TTXYBDPCSA-N
Chemical Structure
2D Structure
2D structure of tert-butyl N-[3-[(1R,3S,3aR,8bR)-1-(aminomethyl)-8b-hydroxy-8-methoxy-3a-(4-methoxyphenyl)-6-(1,3-oxazol-2-yl)-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-3-yl]phenyl]carbamate
CAS: 3095005-44-7
CID: 178203403
Formula: C34H37N3O7
MW: 599.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight599.7
XLogP34.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass599.26315053
Monoisotopic Mass599.26315053
Topological Polar Surface Area138 Ų
Heavy Atom Count44
Formal Charge0
Complexity1000
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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