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Chemical structure of MLN4924 HCl salt

GC12175

MLN4924 HCl salt

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;hydrochloride

A selective inhibitor of NEDD8-activating enzyme

ChemicalCAS1160295-21-5MW479.98FormulaC21H26ClN5O4S
CAS number
1160295-21-5
Molecular weight
479.98
Formula
C21H26ClN5O4S
Solubility
100 mg/mL in DMSO
InChIKey
HJKDNNXKYODZJI-BVMPOVDASA-N
Catalogue number
GC12175
Brand
GLPBIO
Computed properties PubChem CID 66576990 · TPSA 141 Ų · H-bond donors 4 · H-bond acceptors 8
TPSA
141 Ų
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
32

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.Cl

Computed descriptors from PubChem (CID 66576990), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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