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Chemical structure of SPOP-IN-2

GC73937

SPOP-IN-2

Also known as (6R,7R)-7-[[5-(chloromethyl)furan-2-carbonyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

SPOP-IN-2 (compound E1) is a Speckle-type POZ protein (SPOP) inhibitor with IC50 of 0·58 μM, which disrupt the SPOP-subtrate interaction and selectively inhibits proliferation of ccRCC

ChemicalCAS3031640-86-2MW368.79FormulaC15H13ClN2O5S
CAS number
3031640-86-2
Molecular weight
368.79
Formula
C15H13ClN2O5S
InChIKey
LXMSBYPRLHUMJB-QMTHXVAHSA-N
Catalogue number
GC73937
Brand
GLPBIO
Computed properties PubChem CID 170836149 · XLogP 1.1 · TPSA 125 Ų · H-bond donors 2
XLogP
1.1
TPSA
125 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
24

SMILES C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)C3=CC=C(O3)CCl)SC1)C(=O)O

Computed descriptors from PubChem (CID 170836149), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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