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NLG919

CAT: 0013-GTR19163306-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19163306-02Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
NLG919 is a potent IDO (indoleamine- (2,3) -dioxygenase) pathway inhibitor with Ki/EC50 of 7 nM/75 nM in cell-free assays. Phase 1. (In Vitro) :IDO-IN-7 (NLG-919 analogue) is a potent IDO1 inhibitor (IC50=38 nM) . The binding mode of IDO-IN-7 to IDO1 is experimentally available and shows a direct coordinative interaction to the sixth coordination site of ferric heme. IDO-IN-7 has been used as reference compound in other studies to validate high-throughput screening assay for IDO1 inhibition and develop immunostimulatory nanomicellar carrier.
CAS Number
1402836-58-1
Product Name Alternative
GDC-0919
Purity
>98% (HPLC)
Solubility
Ethanol: 56 mg/mL warmed (198.31 mM) ; DMSO: 15 mg/mL warmed (53.11 mM)
Smiles
OC (C1CCCCC1) CC (C2=C3C=CC=C2) N4C3=CN=C4
Molecular Formula
C18H22N2O
Molecular Weight
282.38
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
1-cyclohexyl-2- (5H-imidazo[5,1-a]isoindol-5-yl) ethanol

Chemical Information

Nlg919
CAS Number1402836-58-1
PubChem CID66558287
IUPAC Name1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
Molecular FormulaC18H22N2O
Molecular Weight282.4
XLogP3.5
Topological Polar Surface Area38.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity355
SMILES
C1CCC(CC1)C(CC2C3=CC=CC=C3C4=CN=CN24)O
InChI
InChI=1S/C18H22N2O/c21-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h4-5,8-9,11-13,16,18,21H,1-3,6-7,10H2
InChIKey
YTRRAUACYORZLX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nlg919
CAS: 1402836-58-1
CID: 66558287
Formula: C18H22N2O
MW: 282.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight282.4
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass282.173213330
Monoisotopic Mass282.173213330
Topological Polar Surface Area38.1 Ų
Heavy Atom Count21
Formal Charge0
Complexity355
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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