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Chemical structure of TAS4464

GC37742

TAS4464

Also known as 4-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(sulfamoylamino)methyl]oxolan-2-yl]-5-[2-(2-ethoxy-6-fluorophenyl)ethynyl]pyrrolo[2,3-d]pyrimidine

TAS4464 is a highly potent and selective inhibitor of NEDD8 activating enzyme (NAE), with an IC50 of 0·955 nM

ChemicalCAS1848959-10-3MW506.51FormulaC21H23FN6O6S
CAS number
1848959-10-3
Molecular weight
506.51
Formula
C21H23FN6O6S
Solubility
DMSO： 125 mg/mL (246·79 mM)
InChIKey
TZTRUHFXPVXWRD-QTQZEZTPSA-N
Catalogue number
GC37742
Brand
GLPBIO
Computed properties PubChem CID 124121703 · XLogP 0.2 · TPSA 196 Ų · H-bond donors 5
XLogP
0.2
TPSA
196 Ų
H-bond donors
5
H-bond acceptors
12
Rotatable bonds
8
Heavy atoms
35

SMILES CCOC1=C(C(=CC=C1)F)C#CC2=CN(C3=NC=NC(=C23)N)[C@H]4[C@@H]([C@@H]([C@H](O4)CNS(=O)(=O)N)O)O

Computed descriptors from PubChem (CID 124121703), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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