(-)-Scopolamine hydrochloride - analytical standard,Moligand™ , CAS No.55-16-3

CAS: 55-16-3 Cat. No.: S113892 Peso molecular: 339.81 Beilstein Registry Number: 4168778 Número EC: 200-225-6 PubChem CID: 6852406

GRADE & PURITY Analytical standard, Moligand™

Synonyms

MLS002695952 | Q2P66EIP1F | SMR000058730 | 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, 6-beta,7-beta-epoxy-, (-)-tropate (ester), HCl, | Q27286926 | AKOS040758821 | SCHEMBL309267 | MLS000069776 | Ethyl-p-fluorfenylsulfon | (-)-Scopolamine hydrochloride; Hyosci

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

(-)-Scopolamine hydrochloride is a competitive nonselective mAChR M antagonist. This compound blocks the binding of the acetylcholine ligand and prevents the opening of ion channels.
An antimuscarinic agent

Specifications

Sinónimos

MLS002695952 | Q2P66EIP1F | SMR000058730 | 1-alpha-H, 5-alpha-H-Tropan-3-alpha-ol, 6-beta, 7-beta-epoxy-, (-)-tropate (ester), HCl, | Q27286926 | AKOS040758821 | SCHEMBL309267 | MLS000069776 | Ethyl-p-fluorfenylsulfon | (-)-Scopolamine hydrochloride; Hyosci

Especificaciones y pureza

analytical standard, Moligand™

Mecanismos bioquímicos y fisiológicos

Competitive nonselective muscarinic acetylcholine antagonist. Scopolamine-induced amnesia in laboratory animals is a commonly-used model of memory deficit.

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

Analytical standard, Moligand™

Tipo de acción

INHIBITOR

Nombres e identificadores

• Sonrisas canónicas: CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4.Cl
• IUPAC Name: [(1R,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate;hydrochloride
• InChIKey: KXPXJGYSEPEXMF-WYHSTMEOSA-N
• INCHI: 1S/C17H21NO4.ClH/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10;/h2-6,11-16,19H,7-9H2,1H3;1H/t11?,12-,13-,14+,15-,16+;/m1./s1
• Isómeros SMILES: CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4.Cl
• WGK Alemania: 3
• RTECS: CY1634501
• PubChem CID: 6852406
• Número ONU: 1544
• Peso molecular: 339.81
• Beilstein: 4168778

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Hydroxy acids and derivatives
      • Subclass Beta hydroxy acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Hydroxy acids and derivatives
• Subclass: Beta hydroxy acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Beta hydroxy acids and derivatives
• Alternative Parents: Piperidines N-alkylpyrrolidines Morpholines Benzene and substituted derivatives Trialkylamines Carboxylic acid esters Amino acids and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Azacyclic compounds Primary alcohols Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Beta-hydroxy acid - Benzenoid - N-alkylpyrrolidine - Piperidine - Oxazinane - Morpholine - Monocyclic benzene moiety - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Primary alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Alcohol - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.
• External Descriptors: Not available

Data sources

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

Objetivos asociados (humanos)

MBNL1 Tbio Muscleblind-like protein 1 (34431 Activities)

Discover Target: MBNL1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KPNB1 Tbio Importin subunit beta-1/Snurportin-1 (25097 Activities)

Discover Target: KPNB1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

vpr Aberrant vpr protein (14595 Activities)

Discover Target: vpr

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water: 50 mg/mL
• Sensibilidad: Moisture sensitive.
• Punto de inflamación (°F): 77 °C
• Punto de inflamación (°C): 77°C
• Peso molecular: 339.800 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 339.124 Da
• Monoisotopic Mass: 339.124 Da
• Topological Polar Surface Area: 62.300 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 418.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

Referencias

1. Hushuai Fan, Xiaomin Huang, Ziru Zhang, Ting Wang, Ludan Wang, Yajun Zhang.  (2023)  Immobilization of M3 Muscarinic Receptor to Rapidly Analyze Drug—Protein Interactions and Bioactive Components in a Natural Plant.  INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES,  24  (8): (7171).  [PMID:37108332] [10.3390/ijms24087171]

2. Yanwen Wang, Miao Cai, Yue Lou, Siran Zhang, Xiaoli Liu.  (2022)  ZBTB20-AS1 promoted Alzheimer's disease progression through ZBTB20/GSK-3β/Tau pathway.  BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS,      [PMID:36502636] [10.1016/j.bbrc.2022.11.107]