NLG919 - Moligand™, ≥98% , Inhibitor of indoleamine 2;3-dioxygenase 1;Inhibitor of tryptophan 2;3-dioxygenase, CAS No.1402836-58-1, Inhibitor of indoleamine 2;3-dioxygenase 1;Inhibitor of tryptophan 2;3-dioxygenase

CAS: 1402836-58-1 Cat. No.: N129887 Formula: C₁₈H₂₂N₂O Molecular Weight: 282.38

GRADE & PURITY Moligand™, ≥98%

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

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

NLG919 is a potent IDO (indoleamine-(2,3)-dioxygenase) pathway inhibitor with Ki/EC50 of 7 nM/75 nM in cell-free assays.

Specifications

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

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

Purity

≥98%

Names and Identifiers

Pubchem Sid

488202057

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488202057

Canonical Smiles

C1CCC(CC1)C(CC2C3=CC=CC=C3C4=CN=CN24)O

IUPAC Name

1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol

InChIKey

YTRRAUACYORZLX-UHFFFAOYSA-N

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

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=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Isoindoles and derivatives
      • Subclass Isoindoles

• 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.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

CYP3A4 Tclin Cytochrome P450 3A4 (1 Activities)

Discover Target: CYP3A4

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

TDO2 Tchem Tryptophan 2,3-dioxygenase (2 Activities)

Discover Target: TDO2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

IDO1 Tchem Indoleamine 2,3-dioxygenase 1 (18 Activities)

Discover Target: IDO1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2B6 Tchem Cytochrome P450 2B6 (1338 Activities)

Discover Target: CYP2B6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HeLa (62764 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

IDO1 Tchem Indoleamine 2,3-dioxygenase (6650 Activities)

Discover Target: IDO1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Tdo2 Tryptophan 2,3-dioxygenase (8 Activities)

Discover Target: Tdo2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Canis familiaris (36305 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mus musculus (284745 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rattus norvegicus (775804 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

LLTC cell line (101 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Ido1 Indoleamine 2,3-dioxygenase 1 (313 Activities)

Discover Target: Ido1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1402836-58-1, the molecular formula is C18H22N2O, and the molecular weight is 282.38 g/mol. InChIKey YTRRAUACYORZLX-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.