BPU-11 - ≥98% , CAS No.909664-41-1

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

GRAU & PUREZA ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

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

Especificações

Especificações e pureza

≥98%

Mecanismos bioquímicos e 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.

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

Sorrisos canónicos

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)

SMILES isoméricas

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
    • Classe Piperidines
      • Subclass Benzylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: 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