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Chemical structure of SNDX-5613

GC39508

SNDX-5613

Also known as N-ethyl-2-[4-[7-[[4-(ethylsulfonylamino)cyclohexyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl]oxy-5-fluoro-N-propan-2-ylbenzamide

SNDX-5613 is a potent and selective inhibitor of Menin-MLL (mixed lineage leukemia) interaction with a Ki value of 0·149nM

ChemicalCAS2169919-21-3MW630.82FormulaC32H47FN6O4S
CAS number
2169919-21-3
Molecular weight
630.82
Formula
C32H47FN6O4S
Solubility
DMSO： 41·67 mg/mL (66·06 mM)
InChIKey
FRVSRBKUQZKTOW-UHFFFAOYSA-N
Catalogue number
GC39508
Brand
GLPBIO
Computed properties PubChem CID 132212657 · XLogP 4.3 · TPSA 116 Ų · H-bond donors 1
XLogP
4.3
TPSA
116 Ų
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
11
Heavy atoms
44

SMILES CCN(C(C)C)C(=O)C1=C(C=CC(=C1)F)OC2=CN=CN=C2N3CC4(C3)CCN(CC4)CC5CCC(CC5)NS(=O)(=O)CC

Computed descriptors from PubChem (CID 132212657), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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