Hexamethonium bromide - Moligand™,10mM in Water , CAS No.55-97-0

CAS: 55-97-0 Cat. No.: H424750 分子式: C₁₂H₃₀Br₂N₂ 分子量: 362.19 EC番号: 200-249-7

GRADE & PURITY Moligand™, 10mM in Water

Synonyms

HEXAMETHONIUM BROMIDE|55-97-0|Simpatoblock|Hexamethonium dibromide|Gangliostat|Hexamethionium bromide|Bistrium bromide|Hexamethonium (Bromide)|Esametina|Hexameton|Vegolysen|Vegolysin|Hexonium dibromide|1,6-Hexanediaminium, N,N,N,N',N',N'-hexamethyl-, dibr

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

同義語

HEXAMETHONIUM BROMIDE | 55-97-0 | Simpatoblock | Hexamethonium dibromide | Gangliostat | Hexamethionium bromide | Bistrium bromide | Hexamethonium (Bromide) | Esametina | Hexameton | Vegolysen | Vegolysin | Hexonium dibromide | 1,6-Hexanediaminium, N,N,N,N',N',N'-hexamethyl-, dibr

仕様と純度

Moligand™,10mM in Water

生化学的・生理学的メカニズム

Ganglionic blocker; antagonist at α 3 -containing nicotinic acetylcholine receptors (autonomic ganglia).

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

ANTAGONIST

名前と識別子

• カノニカル・スマイル: C[N+](C)(C)CCCCCC[N+](C)(C)C.[Br-].[Br-]
• IUPAC Name: trimethyl-[6-(trimethylazaniumyl)hexyl]azanium;dibromide
• InChIKey: FAPSXSAPXXJTOU-UHFFFAOYSA-L
• INCHI: 1S/C12H30N2.2BrH/c1-13(2,3)11-9-7-8-10-12-14(4,5)6;;/h7-12H2,1-6H3;2*1H/q+2;;/p-2
• 異性体SMILES: C[N+](C)(C)CCCCCC[N+](C)(C)C.[Br-].[Br-]
• WGKドイツ: 2
• RTECS: BQ8575000
• 代替CAS番号: 60-26-4
• 分子量: 362.19
• Reaxy-Rn: 3715749
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3715749&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 分類 Organonitrogen compounds
      • Subclass Quaternary ammonium salts

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 分類: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Hexamethonium compounds
• Alternative Parents: Tetraalkylammonium salts Organopnictogen compounds Organic bromide salts Hydrocarbon derivatives Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hexamethonium - Tetraalkylammonium salt - Organopnictogen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Amine - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as hexamethonium compounds. These are organic compounds containing a N,N,N,N',N',N'-hexamethylhexane-1,6-diaminium moiety.
• 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

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

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SNCA Tchem Alpha-synuclein (10960 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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ERG Tbio Transcriptional regulator ERG (5589 Activities)

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GMNN Tbio Geminin (128009 Activities)

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PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

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IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)

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MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

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関連ターゲット（非人間）

Plasmodium falciparum (966862 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

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CHRNA1 Acetylcholine receptor (120 Activities)

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作用メカニズム

化学的性質と物理的性質

• 感度: Hygroscopic
• 融点（°C）: 282-285℃
• 分子量: 362.190 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 362.076 Da
• Monoisotopic Mass: 360.078 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 121.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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: 3

XLogP3

参考文献

1. Chao Ma, Xiaona Liu, Yang Hong, Nana Yan, Chenyang Nie, Jing Wang, Peng Guo, Zhongmin Liu.  (2023)  Fluoride- and Seed-Free Synthesis of Pure-Silica Zeolite Adsorbent and Matrix Using OSDA-Mismatch Approach.  Journal of the American Chemical Society,      [PMID:37877469] [10.1021/jacs.3c08484]

2. Yan Rong, Lingrui Wang, Yongheng Wang, Wenxin Wang, Jiaxiang Wang, Yifang Yuan, Urooj Shahzadi, Junnian Chen, Lei Zhang, Kai Wang, Haizhong Guo.  (2024)  Pressure-Induced Unusual Transition of Luminescence Mechanics from Self-Trapped Exciton to Free Exciton Emission in Lead Bromide Perovskitoids.  Advanced Optical Materials,      [PMID:] [10.1002/adom.202402086]

3. Maxim Molokeev, Nicolay Golovnev, Andrey Zolotov, Shuai Zhang, Zhiguo Xia.  (2025)  Screening High-Performance Hybrid Halides Scintillators: A Comprehensive Analysis and Prediction Model.  CHEMISTRY OF MATERIALS,      [PMID:] [10.1021/acs.chemmater.4c03162]