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Chemical structure of SPOP-IN-6b

GC39291

SPOP-IN-6b

Also known as 6-imino-11-methyl-N-(3-morpholin-4-ylpropyl)-2-oxo-7-(2-phenylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide

SPOP-IN-6b is a speckle-type POZ protein (SPOP) inhibitor with an IC50 of 3·58 μM (patent CN 107141287, SPOP-B-88)

ChemicalCAS2136270-20-5MW500.59FormulaC28H32N6O3
CAS number
2136270-20-5
Molecular weight
500.59
Formula
C28H32N6O3
Solubility
DMSO： 10 mg/mL (19·98 mM)
InChIKey
RYTGHNMOSCSWJT-UHFFFAOYSA-N
Catalogue number
GC39291
Brand
GLPBIO
Computed properties PubChem CID 127244279 · XLogP 1.9 · TPSA 101 Ų · H-bond donors 2
XLogP
1.9
TPSA
101 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
37

SMILES CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCC4=CC=CC=C4)C(=O)NCCCN5CCOCC5

Computed descriptors from PubChem (CID 127244279), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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