NS 11394 - Moligand™,≥99% , CAS No.951650-22-9

CAS: 951650-22-9 Cat. No.: N413620 Peso molecular: 353.42
Disponible para pedir
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99%
Synonyms
BCP9000995 | DTXSID60587781 | 2-[3-[5-(2-hydroxypropan-2-yl)benzimidazol-1-yl]phenyl]benzonitrile | 3'-[5-(1-HYDROXY-1-METHYL-ETHYL)-BENZOIMIDAZOL-1-YL]-BIPHENYL-2-CARBONITRILE | HY-11048 | BCP23679 | 1PTH9FK74J | NS11394 | NS-11394 | 3'-(5-(2-Hydroxyprop
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1mg
N413620-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
9,90US$
5mg
N413620-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
37,90US$
25mg
N413620-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
132,90US$
100mg
N413620-100mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
379,90US$
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™,≥99% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
BCP9000995 | DTXSID60587781 | 2-[3-[5-(2-hydroxypropan-2-yl)benzimidazol-1-yl]phenyl]benzonitrile | 3'-[5-(1-HYDROXY-1-METHYL-ETHYL)-BENZOIMIDAZOL-1-YL]-BIPHENYL-2-CARBONITRILE | HY-11048 | BCP23679 | 1PTH9FK74J | NS11394 | NS-11394 | 3'-(5-(2-Hydroxyprop
Especificaciones y pureza
Moligand™, ≥99%
Mecanismos bioquímicos y fisiológicos
NS11394 is a unique subtype-selective GABAA positive allosteric receptor (PAM), with a Ki of ~0.5 nM. NS11394 shows a selectivity profile in the order of GABAA-5 > α3 > α2 > α1-containing receptors. NS11394 has anxiolytic and anti-inflammatory properties.
Condiciones de almacenamiento de almacenamiento
Store at -20°C
Enviado en
Ice chest + Ice pads
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Grado
Moligand™
Tipo de acción
MODULATOR
Pureza
≥99%
Nombres e identificadores
Sonrisas canónicasCC(C)(C1=CC2=C(C=C1)N(C=N2)C3=CC=CC(=C3)C4=CC=CC=C4C#N)O
IUPAC Name2-[3-[5-(2-hydroxypropan-2-yl)benzimidazol-1-yl]phenyl]benzonitrile
InChIKeyHLKYSQGBIIIQJN-UHFFFAOYSA-N
INCHI1S/C23H19N3O/c1-23(2,27)18-10-11-22-21(13-18)25-15-26(22)19-8-5-7-16(12-19)20-9-4-3-6-17(20)14-24/h3-13,15,27H,1-2H3
Isómeros SMILES CC(C)(C1=CC2=C(C=C1)N(C=N2)C3=CC=CC(=C3)C4=CC=CC=C4C#N)O
Peso molecular 353.42
Reaxy-Rn 12988494
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12988494&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClaseBenzimidazoles
SubclassPhenylbenzimidazoles
Intermediate Tree Nodes Not available
Direct ParentPhenylbenzimidazoles
Alternative Parents Biphenylcarbonitriles  Phenylimidazoles  Benzonitriles  N-substituted imidazoles  Tertiary alcohols  Heteroaromatic compounds  Nitriles  Azacyclic compounds  Hydrocarbon derivatives  Aromatic alcohols  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Phenylbenzimidazole - Biphenylcarbonitrile - Biphenyl - 1-phenylimidazole - Benzonitrile - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Tertiary alcohol - Azacycle - Carbonitrile - Nitrile - Organooxygen compound - Aromatic alcohol - Alcohol - Hydrocarbon derivative - Cyanide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as phenylbenzimidazoles. These are compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety where its imidazole ring is attached to a phenyl group.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
GABRA1 Tclin GABA receptor alpha-1 subunit (399 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GABRA5 Tclin GABA receptor alpha-5 subunit (699 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GABRA3 Tclin GABA receptor alpha-3 subunit (187 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GABRA2 Tclin GABA receptor alpha-2 subunit (271 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U2OS (164939 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GABRG2 Tclin GABA-A receptor; alpha-3/beta-3/gamma-2 (1250 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GABRA1 Tclin GABA-A receptor; alpha-1/beta-3/gamma-2 (1565 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GABRG2 Tclin GABA-A receptor; alpha-5/beta-3/gamma-2 (1334 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
SolubilidadSolubility (25°C) In vitro DMSO: 71 mg/mL (200.89 mM); Ethanol: 71 mg/mL (200.89 mM); Water: Insoluble;
Peso molecular353.400 g/mol
XLogP34.100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass353.153 Da
Monoisotopic Mass353.153 Da
Topological Polar Surface Area61.800 Ų
Heavy Atom Count27
Formal Charge0
Complexity567.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
Reseñas

Reseñas de cliente

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