aclidinium - Moligand™ , Antagonist of M 1 receptor;Antagonist of M 2 receptor;Antagonist of M 3 receptor;Antagonist of M 4 receptor;Antagonist of M 5 receptor, CAS No.727649-81-2, Antagonist of M 1 receptor;Antagonist of M 2 receptor;Antagonist of M 3 receptor;Antagonist of M 4 receptor;Antagonist of M 5 receptor

CAS: 727649-81-2 Cat. No.: A607379 PubChem CID: 11434515
주문 가능
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.
Synonyms
K17VY42F6C | ACLIDINIUM [VANDF] | Aclidinium ion | DB08897 | NCGC00386257-02 | SCHEMBL15096073 | BDBM50296331 | UNII-K17VY42F6C | CHEBI:65346 | SCHEMBL72141 | (3R)-3-(2-HYDROXY(DI-2-THIENYL)ACETOXY)-1-(3-PHENOXYPROPYL)-1-AZONIABICYCLO(2.2.2)OCTANE | DTXSI
Storage
Room temperature
★
Size
USA
독일 (EU)*
Price
Qty
5mg
A607379-5mg
주문제작 · 8~12주

US$1,142.90

US$1,334.90
저장 US$192.00 (14.38%)
25mg
A607379-25mg
주문제작 · 8~12주
US$1,900.90
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships 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

동의어
K17VY42F6C | ACLIDINIUM [VANDF] | Aclidinium ion | DB08897 | NCGC00386257-02 | SCHEMBL15096073 | BDBM50296331 | UNII-K17VY42F6C | CHEBI:65346 | SCHEMBL72141 | (3R)-3-(2-HYDROXY(DI-2-THIENYL)ACETOXY)-1-(3-PHENOXYPROPYL)-1-AZONIABICYCLO(2.2.2)OCTANE | DTXSI
사양 및 순도
Moligand™
보관 조건
Room temperature
등급
Moligand™
작업 유형
ANTAGONIST
작동 메커니즘
Antagonist of M 1 receptor;Antagonist of M 2 receptor;Antagonist of M 3 receptor;Antagonist of M 4 receptor;Antagonist of M 5 receptor
이름과 식별자
정식 스마일O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2
IUPAC Name[(8R)-1-[3-(phenoxy)propyl]-1-azoniabicyclo[2.2.2]octan-8-yl] 2-hydroxy-2,2-di(thiophen-2-yl)acetate
InChIKeyASMXXROZKSBQIH-VITNCHFBSA-N
INCHI1S/C26H30NO4S2/c28-25(26(29,23-9-4-17-32-23)24-10-5-18-33-24)31-22-19-27(14-11-20(22)12-15-27)13-6-16-30-21-7-2-1-3-8-21/h1-5,7-10,17-18,20,22,29H,6,11-16,19H2/q+1/t20?,22-,27?/m0/s1
이성체 SMILES C1C[N+]2(CCC1[C@H](C2)OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)CCCOC5=CC=CC=C5
PubChem CID 11434515

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
분류Quinuclidines
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentQuinuclidines
Alternative Parents Phenoxy compounds  Phenol ethers  Alkyl aryl ethers  Piperidines  Thiophenes  Tetraalkylammonium salts  Tertiary alcohols  Heteroaromatic compounds  Carboxylic acid esters  Azacyclic compounds  Monocarboxylic acids and derivatives  Organopnictogen compounds  Hydrocarbon derivatives  Organic oxides  Carbonyl compounds  Organic salts  Aromatic alcohols  Amines  Organic cations  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Phenoxy compound - Phenol ether - Quinuclidine - Alkyl aryl ether - Monocyclic benzene moiety - Piperidine - Benzenoid - Tetraalkylammonium salt - Quaternary ammonium salt - Heteroaromatic compound - Tertiary alcohol - Thiophene - Carboxylic acid ester - Carboxylic acid derivative - Ether - Azacycle - Monocarboxylic acid or derivatives - Aromatic alcohol - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic salt - Alcohol - Carbonyl group - Organic oxygen compound - Amine - Organic cation - Aromatic heteropolycyclic compound
설명This compound belongs to the class of organic compounds known as quinuclidines. These are compounds containing a 1-azabicyclo[2.2.2]octane moiety.
External Descriptors aromatic ether - carboxylic ester - quaternary ammonium ion - thiophenes
3D 구조
상호 작용 화학 구조 모델





관련 대상(인간)
CHRM5 Tclin Muscarinic acetylcholine receptor M5 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CHRM3 Tclin Muscarinic acetylcholine receptor M3 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CHRM4 Tclin Muscarinic acetylcholine receptor M4 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CHRM2 Tclin Muscarinic acetylcholine receptor M2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CHRM1 Tclin Muscarinic acetylcholine receptor M1 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
인증서(CoA, COO, BSE/TSE 및 분석 차트)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
화학 및 물리적 특성
분자량484.700 g/mol
XLogP34.700
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass484.162 Da
Monoisotopic Mass484.162 Da
Topological Polar Surface Area112.000 Ų
Heavy Atom Count33
Formal Charge1
Complexity647.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
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