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Chemical structure of IACS-8968

GC34621

IACS-8968

Also known as 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 (IDO/TDO Inhibitor) is a dual IDO and TDO inhibitor, with pIC50s of 6·43 for IDO and ＜5 for TDO, respectively

ChemicalCAS2144425-14-7MW381.35FormulaC17H18F3N5O2
CAS number
2144425-14-7
Molecular weight
381.35
Formula
C17H18F3N5O2
Solubility
DMSO ： 50 mg/mL (131·11 mM)
InChIKey
UBMTZODMRPHSBC-UHFFFAOYSA-N
Catalogue number
GC34621
Brand
GLPBIO
Computed properties PubChem CID 132060309 · 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(CCC12C(=O)NC(=O)N2)C3=CC(=CC4=CN=CN34)C(F)(F)F)C

Computed descriptors from PubChem (CID 132060309), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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