Pancuronium dibromide - Moligand™, ≥99% , Antagonist of nicotinic acetylcholine receptor α1 subunit, CAS No.15500-66-0, Antagonist of nicotinic acetylcholine receptor α1 subunit

CAS: 15500-66-0 Cat. No.: P129976 Formula: C₃₅H₆₀Br₂N₂O₄ Peso molecolare: 732.67 Beilstein Registry Number: 4226892 Numero EC: 239-532-5

GRADE & PURITY Moligand™, ≥99%

Synonyms

1,1'-(3alpha,17beta-DIHYDROXY-5alpha-ANDROSTAN-2beta,16beta-YLENE)BIS(1-METHYLPIPERIDINIUM)DIBROMIDE DIACETATE | Bromide, Pancuronium | HSDB 3244 | M03AC01 | Pancuronium dibromide | s2497 | LP00887 | HMS1571O09 | PANCURONIUM BROMIDE (EP MONOGRAPH) | 1,1'-

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Panoramica

Pancuronium dibromide is a competitive acetylcholine antagonist with an IC50 of 5.5 nM.
A nicotine neuromuscular antagonist.

Specifications

Sinonimi

1,1'-(3alpha,17beta-DIHYDROXY-5alpha-ANDROSTAN-2beta,16beta-YLENE)BIS(1-METHYLPIPERIDINIUM)DIBROMIDE DIACETATE | Bromide, Pancuronium | HSDB 3244 | M03AC01 | Pancuronium dibromide | s2497 | LP00887 | HMS1571O09 | PANCURONIUM BROMIDE (EP MONOGRAPH) | 1,1'-

Specifiche e purezza

Moligand™, ≥99%

Meccanismi biochimici e fisiologici

Pancuronium dibromide is a competitive AChR antagonist (IC50 = 5.5 nM) and acts as a skeletal muscle relaxant. Pancuronium dibromide interrupts neuromuscular transmission by competing with acetylcholine for receptor sites on the motor end-plate. Pancuroni

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Protected from light,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Tipo di azione

ANTAGONIST

Meccanismo d'azione

Antagonist of nicotinic acetylcholine receptor α1 subunit

Nota

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.

Purezza

≥99%

Nomi e identificatori

Pubchem Sid

528772912

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528772912

Sorrisi canonici

CC(=O)OC1CC2CCC3C(C2(CC1[N+]4(CCCCC4)C)C)CCC5(C3CC(C5OC(=O)C)[N+]6(CCCCC6)C)C.[Br-].[Br-]

IUPAC Name

[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate;dibromide

InChIKey

NPIJXCQZLFKBMV-YTGGZNJNSA-L

INCHI

1S/C35H60N2O4.2BrH/c1-24(38)40-32-21-26-13-14-27-28(35(26,4)23-31(32)37(6)19-11-8-12-20-37)15-16-34(3)29(27)22-30(33(34)41-25(2)39)36(5)17-9-7-10-18-36;;/h26-33H,7-23H2,1-6H3;2*1H/q+2;;/p-2/t26-,27+,28-,29-,30-,31-,32-,33-,34-,35-;;/m0../s1

Isomeri SMILES

CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1[N+]4(CCCCC4)C)C)CC[C@]5([C@H]3C[C@@H]([C@@H]5OC(=O)C)[N+]6(CCCCC6)C)C.[Br-].[Br-]

WGK Germania

3

RTECS

TN4930000

Numero UN

UN 2811

Gruppo di imballaggio

III

Peso molecolare

732.67

Beilstein

4226892

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Steroids and steroid derivatives
      • Subclass Steroid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Steroids and steroid derivatives
• Subclass: Steroid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Steroid esters
• Alternative Parents: Androstane steroids Piperidines Dicarboxylic acids and derivatives Tetraalkylammonium salts Carboxylic acid esters Azacyclic compounds Organopnictogen compounds Organic oxides Organic bromide salts Hydrocarbon derivatives Carbonyl compounds Amines
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Steroid ester - Androstane-skeleton - Dicarboxylic acid or derivatives - Piperidine - Quaternary ammonium salt - Tetraalkylammonium salt - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic bromide salt - Organic salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Aliphatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as steroid esters. These are compounds containing a steroid moiety which bears a carboxylic acid ester group.
• External Descriptors: bromide salt

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

Obiettivi associati (umani)

CHRNA1 Tclin Acetylcholine receptor subunit alpha (0 Activities)

Discover Target: CHRNA1

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

ABCC2 Tchem Canalicular multispecific organic anion transporter 1 (1191 Activities)

Discover Target: ABCC2

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

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

Discover Target: APEX1

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

ABCB11 Tchem Bile salt export pump (2311 Activities)

Discover Target: ABCB11

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

ABCC3 Tbio Canalicular multispecific organic anion transporter 2 (718 Activities)

Discover Target: ABCC3

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

LMNA Tbio Prelamin-A/C (36751 Activities)

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GMNN Tbio Geminin (128009 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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ABCC4 Tchem Multidrug resistance-associated protein 4 (785 Activities)

Discover Target: ABCC4

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

RAD52 Tchem DNA repair protein RAD52 homolog (856 Activities)

Discover Target: RAD52

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Obiettivi associati (non umani)

Plasmodium falciparum (966862 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

Discover Target: Txnrd1

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

Kcnn2 Small conductance calcium-activated potassium channel (260 Activities)

Discover Target: Kcnn2

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in water (100 mM), ethanol (100 mg/ml at 25 °C), and DMSO (100 mg/ml at 25 °C).
• Sensibilità: Moisture & light & air sensitive
• Peso molecolare: 732.700 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 732.29 Da
• Monoisotopic Mass: 730.292 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 43
• Formal Charge: 0
• Complexity: 1000.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 10
• 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