Methscopolamine Bromide - ≥98% , Muscarinic acetylcholine receptor M1 antagonist, CAS No.155-41-9, Muscarinic acetylcholine receptor M1 antagonist

CAS: 155-41-9 Cat. No.: S129958 Peso molecular: 398.29 Número EC: 205-844-5 PubChem CID: 5459110

GRADE & PURITY ≥98%

Synonyms

UNII-292T5234DX | (-)-scopolamine methobromide | CAS-155-41-9 | CCG-268630 | Diopal | Epoxymethamine bromide | Methscopolamine bromide [USP] | MFCD00078560 | (-)-Scopolamine methyl bromide, >=98% (HPLC), powder | 3-Oxa-9-azoniatricyclo(3.3.1.02,4)nonane,

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Methscopolamine is a muscarinic acetylcholine receptor blocker.
A competitive antimuscarinic compound.

Specifications

Sinónimos

UNII-292T5234DX | (-)-scopolamine methobromide | CAS-155-41-9 | CCG-268630 | Diopal | Epoxymethamine bromide | Methscopolamine bromide [USP] | MFCD00078560 | (-)-Scopolamine methyl bromide, >=98% (HPLC), powder | 3-Oxa-9-azoniatricyclo(3.3.1.02, 4)nonane,

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

(-)-Scopolamine methyl bromide is a competitive antimuscarinic agent that blocks the binding of acetylcholine at muscarinic acetylcholine receptors (mAChR M) in vitro.

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.

Tipo de acción

ANTAGONIST

Mecanismo de acción

Muscarinic acetylcholine receptor M1 antagonist

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504763822
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763822
• Sonrisas canónicas: C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4)C.[Br-]
• IUPAC Name: [(1R,2R,4S,5S)-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate;bromide
• InChIKey: CXYRUNPLKGGUJF-OZVSTBQFSA-M
• INCHI: 1S/C18H24NO4.BrH/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11;/h3-7,12-17,20H,8-10H2,1-2H3;1H/q+1;/p-1/t12?,13-,14-,15+,16-,17+;/m1./s1
• Isómeros SMILES: C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)C.[Br-]
• PubChem CID: 5459110
• Peso molecular: 398.29

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: Benzene and substituted derivatives Piperidines Morpholines N-alkylpyrrolidines Tetraalkylammonium salts Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Azacyclic compounds Organic bromide salts Organic zwitterions Hydrocarbon derivatives Amines Carbonyl compounds Primary alcohols Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Beta-hydroxy acid - Monocyclic benzene moiety - Morpholine - Oxazinane - Piperidine - N-alkylpyrrolidine - Benzenoid - Tetraalkylammonium salt - Pyrrolidine - Quaternary ammonium salt - Carboxylic acid ester - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Amine - Organooxygen compound - Carbonyl group - Alcohol - Primary alcohol - Organic bromide salt - Organic oxide - Organic salt - Organic zwitterion - 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

Propiedades químicas y físicas

• Solubilidad: Soluble in water (50 mg/ml).
• Rotación específica [α]: -24°C
• Peso molecular: 398.300 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 397.089 Da
• Monoisotopic Mass: 397.089 Da
• Topological Polar Surface Area: 59.100 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 454.000
• 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. Song Changgeng, Zhao Yan, Zhang Jiajia, Dong Ziyi, Kang Xin, Pan Yuqi, Du Jinle, Gao Yiting, Zhang Haifeng, Xi Ye, Ding Hui, Kuang Fang, Wang Wenting, Luo Ceng, Zhang Zhengping, Zhao Qinpeng, Yang Jiazhou, Jiang Wen, Wu Shengxi, Gao Fang.  (2023)  Spatial Distribution of Parvalbumin-Positive Fibers in the Mouse Brain and Their Alterations in Mouse Models of Temporal Lobe Epilepsy and Parkinson’s Disease.  Neuroscience Bulletin,      [PMID:37523099] [10.1007/s12264-023-01083-0]

2. Song Changgeng, Zhao Jingjing, Hao Jianmin, Mi Dan, Zhang Jiajia, Liu Yingying, Wu Shengxi, Gao Fang, Jiang Wen.  (2023)  Aminoprocalcitonin protects against hippocampal neuronal death via preserving oxidative phosphorylation in refractory status epilepticus.  Cell Death Discovery,  9  (1): (1-18).  [PMID:37142587] [10.1038/s41420-023-01445-7]

3. Fankai Gao, Rui Chen, Shuo Li, An Li, Bo Bai, Rulin Mi, Guofang Xue.  (2023)  (+)-Borneol exerts neuroprotective effects via suppressing the NF-κB pathway in the pilocarpine-induced epileptogenesis rat model.  BRAIN RESEARCH,      [PMID:37127175] [10.1016/j.brainres.2023.148382]

4. Huijie Huangfu, Xugeng Guo, Ning Li, Ye Xiong, Yafei Huang, Jinglai Zhang, Li Wang.  (2023)  A smart composite coating with self-reporting and self-healing functions to enhance corrosion protection for magnesium alloys.  PROGRESS IN ORGANIC COATINGS,      [PMID:] [10.1016/j.porgcoat.2023.107598]

5. Dai Jie, Shen Hai-lin, Li Jia, Zhou Yong, Dong Zheng-xie, Zhu Xiang-yang.  (2024)  Gastrodin Attenuates Neuroinflammation and Injury in Young Rats with LiCl/Pilocarpine-Induced Status Epilepticus.  BIOCHEMICAL GENETICS,      [PMID:39570508] [10.1007/s10528-024-10971-7]

6. Yang Yu, Li Xingchang, Gong Shuxian, Sui Lisen, Liu Jian, Yu Fangjun, Zhang Tianpeng.  (2025)  E4BP4-Driven Circadian SLC6A1 Expression Governs Tiagabine Chronoefficacy in Temporal Lobe Epilepsy.  MOLECULAR NEUROBIOLOGY,  63  (1): (242).  [PMID:41335220] [10.1007/s12035-025-05498-w]