Decamethonium Bromide - Moligand™, ≥98%(T) , Muscle-type nicotinic acetylcholine receptor partial agonist, CAS No.541-22-0, Muscle-type nicotinic acetylcholine receptor partial agonist

CAS: 541-22-0 Cat. No.: D154687 分子式: C₁₆H₃₈Br₂N₂ 分子量: 418.30 EC番号: 208-772-2

GRADE & PURITY Moligand™, ≥98%(T)

Synonyms

Decamethonium bromide (USP:INN) | Decamethonium bromide [INN] | Decamethonium bromide [USP:INN] | decamethoniumbromide | Tox21_112035 | Decamethonium bromide | DECAMETHONIUM BROMIDE [WHO-DD] | SR-01000003073 | 1,10-Decanediaminium, N1,N1,N1,N10,N10,N10-h

Storage

Room temperature,Argon charged

Shipped In

Normal

概要

Decamethonium bromide has been used to induce paralysis in duck embryo.

Specifications

同義語

Decamethonium bromide (USP:INN) | Decamethonium bromide [INN] | Decamethonium bromide [USP:INN] | decamethoniumbromide | Tox21_112035 | Decamethonium bromide | DECAMETHONIUM BROMIDE [WHO-DD] | SR-01000003073 | 1,10-Decanediaminium, N1,N1,N1,N10,N10,N10-h

仕様と純度

Moligand™, ≥98%(T)

生化学的・生理学的メカニズム

Short acting depolarizing muscle relaxant and neuromuscular blocking agent. Used in anesthesia to induce paralysis. Acts as a partial agonist of the nicotinic acetylcholine receptor (AChR).

保管条件

Room temperature,Argon charged

入荷

Normal

等級

Moligand™

アクションタイプ

PARTIAL AGONIST

作用メカニズム

Muscle-type nicotinic acetylcholine receptor partial agonist

注

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Toxic, refer to SDS for further information. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

純度

≥98%(T)

名前と識別子

• パブケム・シド: 504752030
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504752030
• カノニカル・スマイル: C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.[Br-].[Br-]
• IUPAC Name: trimethyl-[10-(trimethylazaniumyl)decyl]azanium;dibromide
• InChIKey: HLXQFVXURMXRPU-UHFFFAOYSA-L
• INCHI: 1S/C16H38N2.2BrH/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6;;/h7-16H2,1-6H3;2*1H/q+2;;/p-2
• 異性体SMILES: C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.[Br-].[Br-]
• WGKドイツ: 3
• RTECS: BP5950000
• 分子量: 418.30
• Reaxy-Rn: 3728288
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3728288&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: Decamethonium compounds
• Alternative Parents: Tetraalkylammonium salts Organopnictogen compounds Organic bromide salts Hydrocarbon derivatives Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Decamethonium - 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 decamethonium compounds. These are quaternary ammonium compounds containing a trimethyl-(10-trimethylammoniodecyl)ammonium 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

関連ターゲット（人間）

ACHE Tclin Acetylcholinesterase (1 Activities)

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

ACHE Tclin Acetylcholinesterase (18204 Activities)

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PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

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

CHRNA7 Tchem Neuronal acetylcholine receptor protein alpha-7 subunit (3524 Activities)

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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

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ERG Tbio Transcriptional regulator ERG (5589 Activities)

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KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

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SMN1 Tchem Survival motor neuron protein (34246 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

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CHRNB2 Tclin Neuronal acetylcholine receptor; alpha4/beta2 (3972 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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PLB1 Phospholipase B (44 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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FTL Ferritin light chain (43324 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
• 分子量: 418.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 11
• Exact Mass: 418.138 Da
• Monoisotopic Mass: 416.14 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 164.000
• 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