UCL 1684 - ≥97%(HPLC) , CAS No.199934-16-2

CAS: 199934-16-2 Cat. No.: U286881 Fórmula: C₃₄H₃₀Br₂N₄ Peso molecular: 654.44 PubChem CID: 9852584

GRADE & PURITY ≥97%(HPLC)

Synonyms

6,12,19,20,25,26-Hexahydro-5,27:13,18:21,24-trietheno-11,7-metheno-7H-dibenzo [b,n] [1,5,12,16]tetraazacyclotricosine-5,13-diium dibromide

Storage

Protegido da luz,Armazenar a -20°C,Dessecado

Shipped In

Arca de gelo + almofadas de gelo

Specifications

Sinónimos

6,12,19,20,25,26-Hexahydro-5,27:13,18:21,24-trietheno-11,7-metheno-7H-dibenzo [b,n] [1,5,12,16]tetraazacyclotricosine-5,13-diium dibromide

Especificações e pureza

≥97%(HPLC)

Mecanismos bioquímicos e fisiológicos

Bloqueador não peptídico altamente potente do canal K+ ativado por Ca2+ sensível à apamina (KCa2.1) (IC50= 3 nM em neurónios simpáticos de rato). Bloqueia os canais hKCa2.1 e rKCa2.2 expressos em células HEK 293 com valores IC50 de 762 e 364 pM, respetiva

Condições de armazenamento de armazenamento

Protegido da luz,Armazenar a -20°C,Dessecado

Enviado em

Arca de gelo + almofadas de gelo

Pureza

≥97%(HPLC)

Nomes e identificadores

• Sorrisos canónicos: C1C2=CC=C(CNC3=CC=[N+](CC4=CC=CC(=C4)C[N+]5=CC=C(N1)C6=CC=CC=C65)C7=CC=CC=C37)C=C2.[Br-].[Br-]
• IUPAC Name: 17,24-diaza-1,9-diazoniaheptacyclo[23.6.2.29,16.219,22.13,7.010,15.026,31]octatriaconta-1(32),3(38),4,6,9(37),10,12,14,16(36),19,21,25(33),26,28,30,34-hexadecaene;dibromide
• InChIKey: KPNMQIKQVCWNTP-UHFFFAOYSA-N
• INCHI: 1S/C34H28N4.2BrH/c1-3-10-33-29(8-1)31-16-18-37(33)23-27-6-5-7-28(20-27)24-38-19-17-32(30-9-2-4-11-34(30)38)36-22-26-14-12-25(13-15-26)21-35-31;;/h1-20H,21-24H2;2*1H
• SMILES isoméricas: C1C2=CC=C(CNC3=CC=[N+](CC4=CC=CC(=C4)C[N+]5=CC=C(N1)C6=CC=CC=C65)C7=CC=CC=C37)C=C2.[Br-].[Br-]
• PubChem CID: 9852584
• Peso molecular: 654.44

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Quinolines and derivatives
      • Subclass Aminoquinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Aminoquinolines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 4-aminoquinolines
• Alternative Parents: Secondary alkylarylamines Aralkylamines Pyridinium derivatives Benzenoids Heteroaromatic compounds Azacyclic compounds Organic bromide salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4-aminoquinoline - Secondary aliphatic/aromatic amine - Aralkylamine - Pyridine - Pyridinium - Benzenoid - Heteroaromatic compound - Secondary amine - Azacycle - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organic nitrogen compound - Amine - Organic bromide salt - Organic cation - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 4-aminoquinolines. These are organic compounds containing an amino group attached to the 4-position of a quinoline ring system.
• 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

Alvos associados (humanos)

KCNN1 Tchem Small conductance calcium-activated potassium channel protein 1 (1 Activities)

Discover Target: KCNN1

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solvent:DMSO, Max Conc. mg/mL: 7.21, Max Conc. mM: 10
• Sensibilidade: Light sensitive
• Peso molecular: 654.400 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 654.082 Da
• Monoisotopic Mass: 652.084 Da
• Topological Polar Surface Area: 31.800 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 689.000
• 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

Perguntas frequentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥97% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C, protected from light, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 199934-16-2, the molecular formula is C??H??Br?N?, and the molecular weight is 654.44 g/mol. InChIKey KPNMQIKQVCWNTP-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.