Hemicholinium-3 - Moligand™, ≥95% , CHT, CAS No.312-45-8, CHT

CAS: 312-45-8 Cat. No.: H346775 Peso molecular: 574.35 Número EC: 206-227-3
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. ≥95%
Synonyms
NSC 527583 | Prestwick_566 | SR-01000075620-1 | LP00578 | 2,2'-(1,1'-Biphenyl)-4,4'-diylbis(2-hydroxy-4,4-dimethyl-morpholinium) dibromide | GTPL4493 | Morpholinium, 2,2'-(1,1'-biphenyl)-4,4'-diylbis(2-hydroxy-4,4-dimethyl-, bromide (1:2) | H-108 | 2,2'-(
Storage
Store at 2-8°C
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
5mg
H346775-5mg
2
51,90US$
10mg
H346775-10mg
1
78,90US$
25mg
H346775-25mg
1
177,90US$
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™, ≥95% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C Ships Wet ice 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.

Descripción general

A potent and selective choline uptake blocker.

Specifications

Sinónimos
NSC 527583 | Prestwick_566 | SR-01000075620-1 | LP00578 | 2, 2'-(1, 1'-Biphenyl)-4, 4'-diylbis(2-hydroxy-4, 4-dimethyl-morpholinium) dibromide | GTPL4493 | Morpholinium, 2, 2'-(1, 1'-biphenyl)-4, 4'-diylbis(2-hydroxy-4, 4-dimethyl-, bromide (1:2) | H-108 | 2, 2'-(
Especificaciones y pureza
Moligand™, ≥95%
Mecanismos bioquímicos y fisiológicos
The role of acetylcholine-3 in blocking neuronal choline uptake, and thus in inhibiting the synthesis of choline in the brain, may play a role in blocking neuronal choline uptake, which inhibits the production of acetylcholine in the brain
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C
Enviado en
Wet ice
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Grado
Moligand™
Mecanismo de acción
CHT
Pureza
≥95%
Nombres e identificadores
Pubchem Sid488180974
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488180974
Sonrisas canónicasC[N+]1(CCOC(C1)(C2=CC=C(C=C2)C3=CC=C(C=C3)C4(C[N+](CCO4)(C)C)O)O)C.[Br-].[Br-]
IUPAC Name2-[4-[4-(2-hydroxy-4,4-dimethylmorpholin-4-ium-2-yl)phenyl]phenyl]-4,4-dimethylmorpholin-4-ium-2-ol;dibromide
InChIKeyOPYKHUMNFAMIBL-UHFFFAOYSA-L
INCHI1S/C24H34N2O4.2BrH/c1-25(2)13-15-29-23(27,17-25)21-9-5-19(6-10-21)20-7-11-22(12-8-20)24(28)18-26(3,4)14-16-30-24;;/h5-12,27-28H,13-18H2,1-4H3;2*1H/q+2;;/p-2
Isómeros SMILES C[N+]1(CCOC(C1)(C2=CC=C(C=C2)C3=CC=C(C=C3)C4(C[N+](CCO4)(C)C)O)O)C.[Br-].[Br-]
WGK Alemania 3
RTECS QF2450000
CAS alternativo 312-45-8
Términos de entrada MeSH Hemicholinium;Hemicholinium 3
Peso molecular 574.35
Reaxy-Rn 5704458
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5704458&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
ClaseOxazinanes
SubclassMorpholines
Intermediate Tree Nodes Not available
Direct ParentPhenylmorpholines
Alternative Parents Biphenyls and derivatives  Aralkylamines  Tetraalkylammonium salts  Hemiacetals  Oxacyclic compounds  Azacyclic compounds  Organopnictogen compounds  Organic zwitterions  Organic bromide salts  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Biphenyl - Phenylmorpholine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Tetraalkylammonium salt - Quaternary ammonium salt - Hemiacetal - Oxacycle - Azacycle - Organic zwitterion - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organic bromide salt - Aromatic heteromonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
SLC5A7 Tchem High affinity choline transporter 1 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
SLC18A3 Tchem Vesicular acetylcholine transporter (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
POLB Tchem DNA polymerase beta (23632 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLC5A7 Tchem High-affinity choline transporter (1462 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLI Tchem DNA polymerase iota (116820 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RECQL Tbio ATP-dependent DNA helicase Q1 (5575 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RAD52 Tchem DNA repair protein RAD52 homolog (856 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TARDBP Tchem TAR DNA-binding protein 43 (40113 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Vesicular acetylcholine transporter (105 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
FTL Ferritin light chain (43324 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:

Find and download the COA for your product by matching the lot number on the packaging.

8 results found

Lot NumberCertificate TypeFechaArticulo
D2313100Certificate of AnalysisJan 21, 2026 H346775
D2313114Certificate of AnalysisJan 21, 2026 H346775
D2313121Certificate of AnalysisJan 21, 2026 H346775
D2313299Certificate of AnalysisJan 21, 2026 H346775
D2313737Certificate of AnalysisJan 21, 2026 H346775
D2313128Certificate of AnalysisMar 03, 2023 H346775
D2313293Certificate of AnalysisMar 03, 2023 H346775
H2501048Certificate of AnalysisMar 03, 2023 H346775
Propiedades químicas y físicas
SolubilidadSoluble in ethanol: 1.3 mg/mL: water: 10 mg/mL
Sensibilidadmoisture sensitive
Punto de fusión (°C)180° C
Peso molecular574.300 g/mol
XLogP3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass574.086 Da
Monoisotopic Mass572.089 Da
Topological Polar Surface Area58.900 Ų
Heavy Atom Count32
Formal Charge0
Complexity544.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count3
Calculadoras de soluciones
Reseñas

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