SB 452533 - Moligand™, ≥98%(HPLC) , Channel blocker of TRPV1, CAS No.459429-39-1, Channel blocker of TRPV1

CAS: 459429-39-1 Cat. No.: S288655 Fórmula: C₁₈H₂₂BrN₃O Peso molecular: 376.29 Número CE: 806-206-4 PubChem CID: 9842609

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

n-(2-bromophenyl)-n'-[2-[ethyl(3-methylphenyl)amino]ethyl]urea | N-(2-Bromophenyl)-N'-[2-[ethyl(3-methylphenyl)amino]ethyl]-urea | AKOS024457514 | MS-26098 | SB452533 | SB-452533 | N-[2-Bromophenyl]-N'-[2-(N''-ethyl-N''-(3-methylphenyl)amino)ethyl]urea |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

n-(2-bromophenyl)-n'-[2-[ethyl(3-methylphenyl)amino]ethyl]urea | N-(2-Bromophenyl)-N'-[2-[ethyl(3-methylphenyl)amino]ethyl]-urea | AKOS024457514 | MS-26098 | SB452533 | SB-452533 | N-[2-Bromophenyl]-N'-[2-(N''-ethyl-N''-(3-methylphenyl)amino)ethyl]urea |

Especificações e pureza

Moligand™, ≥98%(HPLC)

Mecanismos bioquímicos e fisiológicos

Potent TRPV1 antagonist against capsaicin (pKb= 7.7), noxious heat and acid-mediated (pIC50= 7.0) receptor activation (pKi= 6.22 at the recombinant hTRPV1 receptor). Exhibits analgesic properties.

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 TRPV1

Pureza

≥98%(HPLC)

Nomes e identificadores

• Pubchem Sid: 504764960
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764960
• Sorrisos canónicos: CCN(CCNC(=O)NC1=CC=CC=C1Br)C2=CC=CC(=C2)C
• IUPAC Name: 1-(2-bromophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea
• InChIKey: IFJYEGJUQIBBQV-UHFFFAOYSA-N
• INCHI: 1S/C18H22BrN3O/c1-3-22(15-8-6-7-14(2)13-15)12-11-20-18(23)21-17-10-5-4-9-16(17)19/h4-10,13H,3,11-12H2,1-2H3,(H2,20,21,23)
• SMILES isoméricas: CCN(CCNC(=O)NC1=CC=CC=C1Br)C2=CC=CC(=C2)C
• WGK Alemanha: 3
• PubChem CID: 9842609
• Peso molecular: 376.29

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass N-phenylureas

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: N-phenylureas
• Intermediate Tree Nodes: Not available
• Direct Parent: N-phenylureas
• Alternative Parents: Dialkylarylamines Aniline and substituted anilines Aminotoluenes Bromobenzenes Aryl bromides Ureas Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: N-phenylurea - Aminotoluene - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Bromobenzene - Halobenzene - Toluene - Aryl bromide - Aryl halide - Urea - Tertiary amine - Amine - Organonitrogen compound - Organobromide - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea 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)

TRPV1 Tclin Transient receptor potential cation channel subfamily V member 1 (1 Activities)

Discover Target: TRPV1

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

TRPV1 Tclin Vanilloid receptor (8273 Activities)

Discover Target: TRPV1

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

Liver microsomes (16955 Activities)

Explore this target

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

Alvos associados (não humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solvent:DMSO, Max Conc. mg/mL: 37.63, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 3.76, Max Conc. mM: 10 with gentle warming
• Peso molecular: 376.300 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 375.095 Da
• Monoisotopic Mass: 375.095 Da
• Topological Polar Surface Area: 44.400 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 366.000
• 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