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Atropine - 10mM in DMSO, high purity , CAS No.51-55-8, Muscarinic acetylcholine receptor M2 antagonist

11 Citations

COA

Grade & Purity:

Moligand™

10mM in DMSO

Cas Number: 51-55-8
Molecular Weight: 289.37
Beilstein Registry Number: 91260
EC Number: 200-104-8
PubChem CID: 174174

In stock

Item Number

A424427

Grouped product items
SKU	Size	Availability	Price	Qty
A424427-1ml	1ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$241.90

Potent, competitive, non-selective mAChR antagonist

View related series

Class A GPCR (4138) Compound libraries (12325) Metabolite (5307)

Basic Description

Synonyms	(1R,3r,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate \| alpha-(Hydroxymethyl)benzeneacetic acid 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester \| Atropine, >=95.0% (NT) \| InChI=1/C11H8Cl2N2O/c12-8-1-2-9(10(13)5-8)11(16)6-15-4-3-14-7-15
Specifications & Purity	Moligand™, 10mM in DMSO
Biochemical and Physiological Mechanisms	Competitive nonselective antagonist at central and peripheral muscarinic acetylcholine receptors.Potent, competitive, non-selective mAChR antagonist (IC 50 = 2.5 nM). Induces mydriasis. Shows antimuscarinic and anticholinergic effects in vivo . Orally act
Storage Temp	Store at -80°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	ANTAGONIST
Mechanism of action	Muscarinic acetylcholine receptor M2 antagonist

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Alkaloids and derivatives
  - Class Tropane alkaloids

Kingdom	Organic compounds
Superclass	Alkaloids and derivatives
Class	Tropane alkaloids
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Tropane alkaloids
Alternative Parents	Beta hydroxy acids and derivatives Piperidines N-alkylpyrrolidines Benzene and substituted derivatives Trialkylamines Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Tropane alkaloid - Beta-hydroxy acid - Monocyclic benzene moiety - Hydroxy acid - Piperidine - Benzenoid - N-alkylpyrrolidine - Pyrrolidine - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Primary alcohol - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as tropane alkaloids. These are organic compounds containing the nitrogenous bicyclic alkaloid parent N-Methyl-8-azabicyclo[3.2.1]octane.
External Descriptors	Not available
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)

CHRM5 Tclin Muscarinic acetylcholine receptor M5 (9 Activities)

Discover Target: CHRM5

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

CHRM4 Tclin Muscarinic acetylcholine receptor M4 (8 Activities)

Discover Target: CHRM4

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

Names and Identifiers

IUPAC Name	[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate
INCHI	InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15?,16?
InChIKey	RKUNBYITZUJHSG-PJPHBNEVSA-N
Smiles	CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3
Isomeric SMILES	CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3
WGK Germany	3
RTECS	CK0700000
Molecular Weight	289.37
Beilstein	91260
Reaxy-Rn	91256
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=91256&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Sensitivity	Light & Air sensitive.
Molecular Weight	289.400 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	289.168 Da
Monoisotopic Mass	289.168 Da
Topological Polar Surface Area	49.800 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	353.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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