Methoctramine tetrahydrochloride - Moligand™,≥97% , CAS No.104807-46-7

CAS: 104807-46-7 Cat. No.: M650210 Molecular Weight: 728.75
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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. ≥97%
Synonyms
N1,N1'-(octane-1,8-diyl)bis(N6-(2-methoxybenzyl)hexane-1,6-diamine) tetrahydrochloride | CHEBI:73452 | Tox21_500862 | Methoctramine tetrahydrochloride | 1,8-Octanediamine, N,N'-bis(6-(((2-methoxyphenyl)methyl)amino)hexyl)-, tetrahydrochloride | N,N'-bis{6
Storage
Store at -20°C,Argon charged,Desiccated
Shipped In
Ice chest + Ice pads
Size
Status
Price
Qty
1mg
M650210-1mg
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$69.90
5mg
M650210-5mg
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$169.90
25mg
M650210-25mg
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$439.90
100mg
M650210-100mg
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$1,499.90
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Why this grade

Moligand™,≥97% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

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

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Quality documents

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

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Literature proof

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

Overview

Methoctramine tetrahydrochloride is a potent and cardioselectivity antagonist of M2 muscarinic receptor . Methoctramine tetrahydrochloride can inhibit Muscarine-induced bradycardia in vivo

In Vitro

Methoctramine tetrahydrochloride attenuates Acetylcholine (ACh)- and Arecaidine propargyl ester (APE)-induced increases in PG synthesis in a concentration-dependent manner. Methoctramine (0.01-1 μM) tetrahydrochloride causes facilitation of contractions induced by both pre- and postganglionic nerve stimulation in the guinea-pig isolated, innervated tracheal tube preparation. Methoctramine (≥10 μM) tetrahydrochloride reduces responses to both nerve stimulation and exogenous ACh. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

Methoctramine (300 µg/kg; i.v.) tetrahydrochloride strongly inhibits the Methacholine- and Muscarine-induced bradycardia in the anaesthetized rat, respectively. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:M2 muscarinic receptor

Specifications

Synonyms
N1, N1'-(octane-1, 8-diyl)bis(N6-(2-methoxybenzyl)hexane-1, 6-diamine) tetrahydrochloride | CHEBI:73452 | Tox21_500862 | Methoctramine tetrahydrochloride | 1, 8-Octanediamine, N, N'-bis(6-(((2-methoxyphenyl)methyl)amino)hexyl)-, tetrahydrochloride | N, N'-bis{6
Specifications & Purity
Moligand™, ≥97%
Biochemical and Physiological Mechanisms
Methoctramine tetrahydrochloride is a potent and cardioselectivity antagonist of M2 muscarinic receptor . Methoctramine tetrahydrochloride can inhibit Muscarine-induced bradycardia in vivo.
Storage
Store at -20°C, Argon charged, Desiccated
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Action Type
ANTAGONIST
Purity
≥97%
Names and Identifiers
Canonical SmilesCOC1=CC=CC=C1CNCCCCCCNCCCCCCCCNCCCCCCNCC2=CC=CC=C2OC.Cl.Cl.Cl.Cl
IUPAC NameN,N'-bis[6-[(2-methoxyphenyl)methylamino]hexyl]octane-1,8-diamine;tetrahydrochloride
InChIKeyCDKGGOUDHGSFAF-UHFFFAOYSA-N
INCHI1S/C36H62N4O2.4ClH/c1-41-35-23-13-11-21-33(35)31-39-29-19-9-7-17-27-37-25-15-5-3-4-6-16-26-38-28-18-8-10-20-30-40-32-34-22-12-14-24-36(34)42-2;;;;/h11-14,21-24,37-40H,3-10,15-20,25-32H2,1-2H3;4*1H
Isomeric SMILES COC1=CC=CC=C1CNCCCCCCNCCCCCCCCNCCCCCCNCC2=CC=CC=C2OC.Cl.Cl.Cl.Cl
Alternate CAS 104807-40-1
Molecular Weight 728.75

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.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassPhenylmethylamines
Intermediate Tree Nodes Not available
Direct ParentPhenylmethylamines
Alternative Parents Phenoxy compounds  Methoxybenzenes  Benzylamines  Anisoles  Aralkylamines  Alkyl aryl ethers  Dialkylamines  Organopnictogen compounds  Hydrochlorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Phenoxy compound - Anisole - Benzylamine - Phenol ether - Methoxybenzene - Phenylmethylamine - Alkyl aryl ether - Aralkylamine - Secondary aliphatic amine - Ether - Secondary amine - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organic oxygen compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
External Descriptors hydrochloride
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
CHRM2 Tclin Muscarinic acetylcholine receptor M2 (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
BCHE Tclin Cholinesterase (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ACHE Tclin Acetylcholinesterase (18204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLB Tchem DNA polymerase beta (23632 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BCHE Tclin Butyrylcholinesterase (7174 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
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SMN1 Tchem Survival motor neuron protein (34246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LMNA Tbio Prelamin-A/C (36751 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RECQL Tbio ATP-dependent DNA helicase Q1 (5575 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BLM Tchem Bloom syndrome protein (4248 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PMP22 Tbio Peripheral myelin protein 22 (699 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KMT2A Tchem Histone-lysine N-methyltransferase MLL (17327 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MPHOSPH8 Tbio M-phase phosphoprotein 8 (656 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BCHE Tclin Cholinesterases; ACHE & BCHE (1222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Mycolicibacterium smegmatis (8003 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Musca domestica (713 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Npsr1 Neuropeptide S receptor (260 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mapt Microtubule-associated protein tau (6 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Chrm1 Muscarinic acetylcholine receptor (3770 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Htr3a Serotonin (5-HT) receptor (353 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
SensitivityMoisture sensitive
Molecular Weight728.700 g/mol
XLogP3
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count6
Rotatable Bond Count29
Exact Mass728.391 Da
Monoisotopic Mass726.394 Da
Topological Polar Surface Area66.600 Ų
Heavy Atom Count46
Formal Charge0
Complexity519.000
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 Count5
Solution Calculators
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