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Chemical structure of IACS-8968 S-enantiomer

GC34623

IACS-8968 S-enantiomer

Also known as (5S)-6,6-dimethyl-8-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

IACS-8968 (S-enantiomer) is the S-enantiomer of IACS-8968· IACS-8968 is a dual IDO and TDO inhibitor, with pIC50s of 6·43 for IDO and ＜5 for TDO, respectively

ChemicalCAS2239305-70-3MW381.35FormulaC17H18F3N5O2
CAS number
2239305-70-3
Molecular weight
381.35
Formula
C17H18F3N5O2
Solubility
Soluble in DMSO
InChIKey
UBMTZODMRPHSBC-MRXNPFEDSA-N
Catalogue number
GC34623
Brand
GLPBIO
Computed properties PubChem CID 134814487 · XLogP 3.1 · TPSA 78.7 Ų · H-bond donors 2
XLogP
3.1
TPSA
78.7 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
1
Heavy atoms
27

SMILES CC1(CN(CC[C@@]12C(=O)NC(=O)N2)C3=CC(=CC4=CN=CN34)C(F)(F)F)C

Computed descriptors from PubChem (CID 134814487), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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