BPU-11 - ≥98% , CAS No.909664-41-1

CAS: 909664-41-1 Cat. No.: B650026 Fórmula: C₃₂H₃₁N₅O Peso molecular: 501.63 PubChem CID: 24730758

CALIDAD & PUREZA ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

BPU-11 is a hyperpolarization-activated cyclic nucleotide-gated (HCN) C-linker pocket (CLP) HCN4 CLP ligand. BPU-11 can be used for the research of congenital immune disease.

In Vitro

BPU-11 (100 μM) abolishes the HCN4 cAMP-induced shift in V 1/2 with a k 1/2 of 0.42 μM. BPU (100 and 200 μM) is specific of the HCN4 isoform and shows no effect on human HCN2 channels expressed in HEK293T cells. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Especificaciones

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

BPU-11 is a hyperpolarization-activated cyclic nucleotide-gated (HCN) C-linker pocket (CLP) HCN4 CLP ligand. BPU-11 can be used for the research of congenital immune disease.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

Sonrisas canónicas

C1CN(CCC1N(CC2=CN=CC=C2)C(=O)NC3=CC=CC=C3C4=CC=CC=C4)CC5=CC(=CC=C5)C#N

IUPAC Name

1-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-3-(2-phenylphenyl)-1-(pyridin-3-ylmethyl)urea

InChIKey

UIIRFZUAAAFHFB-UHFFFAOYSA-N

INCHI

1S/C32H31N5O/c33-21-25-8-6-9-26(20-25)23-36-18-15-29(16-19-36)37(24-27-10-7-17-34-22-27)32(38)35-31-14-5-4-13-30(31)28-11-2-1-3-12-28/h1-14,17,20,22,29H,15-16,18-19,23-24H2,(H,35,38)

Isómeros SMILES

C1CN(CCC1N(CC2=CN=CC=C2)C(=O)NC3=CC=CC=C3C4=CC=CC=C4)CC5=CC(=CC=C5)C#N

PubChem CID

24730758

Peso molecular

501.63

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Piperidines
      • Subclass Benzylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Piperidines
• Subclass: Benzylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-benzylpiperidines
• Alternative Parents: Biphenyls and derivatives N-phenylureas Phenylmethylamines Benzylamines Benzonitriles Aralkylamines Pyridines and derivatives Heteroaromatic compounds Ureas Trialkylamines Nitriles Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-benzylpiperidine - Biphenyl - N-phenylurea - Benzonitrile - Benzylamine - Phenylmethylamine - Aralkylamine - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Urea - Tertiary aliphatic amine - Tertiary amine - Azacycle - Carbonitrile - Nitrile - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - Cyanide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring 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: DMSO : 125 mg/mL (249.19 mM; Need ultrasonic)
• Peso molecular: 501.600 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 501.253 Da
• Monoisotopic Mass: 501.253 Da
• Topological Polar Surface Area: 72.300 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 780.000
• 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: 1