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Chemical structure of GNF-PF-3777 (8-Nitrotryptanthrin)

GC33671

GNF-PF-3777 (8-Nitrotryptanthrin)

Also known as 8-nitroindolo[2,1-b]quinazoline-6,12-dione

GNF-PF-3777 (8-Nitrotryptanthrin) (8-Nitrotryptanthrin) is a potent human indoleamine 2,3-dioxygenase 2 (hIDO2) inhibitor which significantly reduces IDO2 activity with Ki of 0·97 μM

ChemicalCAS77603-42-0MW293.23FormulaC15H7N3O4
CAS number
77603-42-0
Molecular weight
293.23
Formula
C15H7N3O4
Solubility
DMSO ： 6·4 mg/mL (21·83 mM)
InChIKey
UFMQJYHLIUACCG-UHFFFAOYSA-N
Catalogue number
GC33671
Brand
GLPBIO
Computed properties PubChem CID 478573 · XLogP 1.9 · TPSA 95.6 Ų · H-bond donors 0
XLogP
1.9
TPSA
95.6 Ų
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
0
Heavy atoms
22

SMILES C1=CC=C2C(=C1)C(=O)N3C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)C3=N2

Computed descriptors from PubChem (CID 478573), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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