BI-749327 - Moligand™, ≥98% , Channel blocker of TRPC6;Channel blocker of TRPC7, CAS No.2361241-23-6, Channel blocker of TRPC6;Channel blocker of TRPC7

CAS: 2361241-23-6 Cat. No.: B413431 Fórmula: C₂₃H₂₁F₃N₄O₂ Peso molecular: 442.43

GRADE & PURITY Moligand™, ≥98%

Synonyms

(4-(6-Aminopyridazin-3-yl)piperidin-1-yl)(4-(4-(trifluoromethyl)phenoxy)phenyl)methanone

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

(4-(6-Aminopyridazin-3-yl)piperidin-1-yl)(4-(4-(trifluoromethyl)phenoxy)phenyl)methanone

Especificações e pureza

Moligand™, ≥98%

Mecanismos bioquímicos e fisiológicos

BI-749327 is a potent, high selectivity TRPC6 antagonist, with IC50s of 13 nM, 19 nM and 15 nM for mouse, human and guinea pig TRPC6, respectively. BI-749327 is 85-fold more selective for mouse TRPC6 than TRPC3 and 42-fold versus TRPC7.

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.

Grau

Moligand™

Tipo de ação

CHANNEL BLOCKER

Mecanismo de ação

Channel blocker of TRPC6;Channel blocker of TRPC7

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 528763435
• Sorrisos canónicos: C1CN(CCC1C2=NN=C(C=C2)N)C(=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)C(F)(F)F
• IUPAC Name: [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-[4-(trifluoromethyl)phenoxy]phenyl]methanone
• InChIKey: RGYMFGHHIDRCBN-UHFFFAOYSA-N
• INCHI: 1S/C23H21F3N4O2/c24-23(25,26)17-3-7-19(8-4-17)32-18-5-1-16(2-6-18)22(31)30-13-11-15(12-14-30)20-9-10-21(27)29-28-20/h1-10,15H,11-14H2,(H2,27,29)
• Peso molecular: 442.43
• Reaxy-Rn: 34511808
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=34511808&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-benzoylpiperidines
• Alternative Parents: N-benzoylpiperidines Diphenylethers Trifluoromethylbenzenes Benzamides Phenol ethers Pyridazines and derivatives N-acyl amines Imidolactams Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids and derivatives Ethers Azacyclic compounds Primary amines Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1-benzoylpiperidine - N-benzoylpiperidine - Diphenylether - Trifluoromethylbenzene - N-acyl-piperidine - Benzoic acid or derivatives - Benzamide - Phenol ether - Imidolactam - Pyridazine - Piperidine - N-acyl-amine - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 1-benzoylpiperidines. These are compounds containing a piperidine ring substituted at the 1-position with a benzoyl group.
• 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)

TRPC6 Tchem Short transient receptor potential channel 6 (0 Activities)

Discover Target: TRPC6

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

TRPC7 Tchem Short transient receptor potential channel 7 (0 Activities)

Discover Target: TRPC7

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

Propriedades químicas e físicas

• Peso molecular: 442.400 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 442.162 Da
• Monoisotopic Mass: 442.162 Da
• Topological Polar Surface Area: 81.300 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 611.000
• 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