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Chemical structure of A-395 (A395)

GC33187

A-395 (A395)

Also known as (3R,4S)-1-(7-fluoro-2,3-dihydro-1H-inden-1-yl)-N,N-dimethyl-4-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]pyrrolidin-3-amine

A-395 (A395) is an antagonist of polycomb repressive complex 2 (PRC2) protein-protein interactions that potently inhibits the trimeric PRC2 complex (EZH2-EED-SUZ12) with an IC50 of 18 nM

ChemicalCAS2089148-72-9MW486.65FormulaC26H35FN4O2S
CAS number
2089148-72-9
Molecular weight
486.65
Formula
C26H35FN4O2S
Solubility
DMSO ： 100 mg/mL (205·49 mM)
InChIKey
REVJNSVNICWODC-KIDMSAQOSA-N
Catalogue number
GC33187
Brand
GLPBIO
Computed properties PubChem CID 123132213 · XLogP 3.1 · TPSA 55.5 Ų · H-bond donors 0
XLogP
3.1
TPSA
55.5 Ų
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
34

SMILES CN(C)[C@H]1CN(C[C@@H]1C2=CC=C(C=C2)N3CCN(CC3)S(=O)(=O)C)C4CCC5=C4C(=CC=C5)F

Computed descriptors from PubChem (CID 123132213), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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