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NLG919 - ≥98%, high purity , CAS No.1402836-58-1, Inhibitor of indoleamine 2;3-dioxygenase 1;Inhibitor of tryptophan 2;3-dioxygenase
Potent, small molecule IDO pathway inhibitor
Basic Description
Synonyms
HY-13983 | BDBM50126144 | GTPL9019 | NLG919 (GDC-0919) | YTRRAUACYORZLX-UHFFFAOYSA-N | 2-Naphthalenesulfonic acid, 7, {7'-(carbonyldiimino)bis[4-hydroxy-3-(phenylazo)-,} | CCG-267268 | NCGC00386274-04 | SY046802 | SB16495 | 3-(2-Amino-ethyl)-5-[3-(4-butox
Specifications & Purity
Moligand™, ≥98%
Biochemical and Physiological Mechanisms
NLG919 is a potent indoleamine 2,3-dioxygenase (IDO) pathway inhibitor (K i = 7 nM; EC 50 = 75 nM) in cell-free assays.
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Action Type
INHIBITOR
Mechanism of action
Inhibitor of indoleamine 2;3-dioxygenase 1;Inhibitor of tryptophan 2;3-dioxygenase
Product Description
NLG919 is a potent IDO (indoleamine-(2,3)-dioxygenase) pathway inhibitor with Ki/EC50 of 7 nM/75 nM in cell-free assays.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoindoles and derivatives
Subclass
Isoindoles
Intermediate Tree Nodes
Not available
Direct Parent
Isoindoles
Alternative Parents
N-substituted imidazoles Benzenoids Heteroaromatic compounds Secondary alcohols Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoindole - Benzenoid - N-substituted imidazole - Heteroaromatic compound - Imidazole - Azole - Secondary alcohol - Azacycle - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoindoles. These are heteropolycyclic compounds with a structure containing isoindole, a benzo-fused pyrrole.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
488202057
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488202057
IUPAC Name
1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
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
Smiles
C1CCC(CC1)C(CC2C3=CC=CC=C3C4=CN=CN24)O
Isomeric SMILES
C1CCC(CC1)C(CC2C3=CC=CC=C3C4=CN=CN24)O
Molecular Weight
282.38
Reaxy-Rn
22999288
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22999288&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
DMSO 56 mg/mL Water <1 mg/mL Ethanol 56 mg/mL
Molecular Weight
282.400 g/mol
XLogP3
3.500
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
3
Exact Mass
282.173 Da
Monoisotopic Mass
282.173 Da
Topological Polar Surface Area
38.100 Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
355.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
2
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Citations of This Product
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