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Chemical structure of MLN4924

GC15086

MLN4924

Also known as [(1S,2S,4R)-4-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-2-hydroxycyclopentyl]methyl sulfamate

MLN4924 is a potent and selective small-molecule inhibitor of NEDD8-activating enzyme (NAE) (IC50 = 4 nM), and is selective relative to the closely related enzymes UAE, SAE, UBA6 and ATG7 (IC50 = 1·5, 8·2, 1·8 and >10 μM, respectively)

ChemicalCAS905579-51-3MW443.53FormulaC21H25N5O4S
CAS number
905579-51-3
Molecular weight
443.53
Formula
C21H25N5O4S
Solubility
≥ 22·2mg/mL in DMSO
InChIKey
MPUQHZXIXSTTDU-QXGSTGNESA-N
Catalogue number
GC15086
Brand
GLPBIO
Computed properties PubChem CID 16720766 · XLogP 1.7 · TPSA 141 Ų · H-bond donors 3
XLogP
1.7
TPSA
141 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
31

SMILES C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N

Computed descriptors from PubChem (CID 16720766), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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Documents
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