NTNCB hydrochloride - ≥98%(HPLC) , CAS No.191931-56-3

CAS: 191931-56-3 Cat. No.: N288065 Fórmula: C₂₅H₃₃N₃O₄S.HCl Peso molecular: 508.07 PubChem CID: 16759158

GRADE & PURITY ≥98%(HPLC)

Synonyms

2-nitro-N-[[4-[(1,2,3,4-tetrahydronaphthalen-2-ylmethylamino)methyl]cyclohexyl]methyl]benzenesulfonamide;hydrochloride | DTXSID70587873 | NTNCB (hydrochloride) | 2-Nitro-N-(((1r,4r)-4-((((1,2,3,4-tetrahydronaphthalen-2-yl)methyl)amino)methyl)cyClohexyl)me

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

2-nitro-N-[[4-[(1,2,3,4-tetrahydronaphthalen-2-ylmethylamino)methyl]cyclohexyl]methyl]benzenesulfonamide;hydrochloride | DTXSID70587873 | NTNCB (hydrochloride) | 2-Nitro-N-(((1r,4r)-4-((((1,2,3,4-tetrahydronaphthalen-2-yl)methyl)amino)methyl)cyClohexyl)me

Especificações e pureza

≥98%(HPLC)

Mecanismos bioquímicos e fisiológicos

Selective, non-peptide competitive NPY Y5antagonist. Kivalues are 8.0 and 16032 nM at human recombinant Y5and Y1receptors respectively. Potently antagonizes NPY inhibition of forskolin-stimulated cAMP. Displays some affinity for cloned human D2andα2Crecep

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.

Tipo de ação

ANTAGONIST

Pureza

≥98%(HPLC)

Nomes e identificadores

• Pubchem Sid: 504768522
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768522
• Sorrisos canónicos: C1CC(CCC1CNCC2CCC3=CC=CC=C3C2)CNS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-].Cl
• IUPAC Name: 2-nitro-N-[[4-[(1,2,3,4-tetrahydronaphthalen-2-ylmethylamino)methyl]cyclohexyl]methyl]benzenesulfonamide;hydrochloride
• InChIKey: BKCQHNDMUNWNQC-UHFFFAOYSA-N
• INCHI: 1S/C25H33N3O4S.ClH/c29-28(30)24-7-3-4-8-25(24)33(31,32)27-18-20-11-9-19(10-12-20)16-26-17-21-13-14-22-5-1-2-6-23(22)15-21;/h1-8,19-21,26-27H,9-18H2;1H
• SMILES isoméricas: C1CC(CCC1CNCC2CCC3=CC=CC=C3C2)CNS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-].Cl
• PubChem CID: 16759158
• Peso molecular: 508.07

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Tetralins

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Tetralins
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetralins
• Alternative Parents: Benzenesulfonamides Nitrobenzenes Benzenesulfonyl compounds Nitroaromatic compounds Aralkylamines Organosulfonamides Aminosulfonyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Dialkylamines Organopnictogen compounds Organic zwitterions Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Benzenesulfonamide - Tetralin - Nitrobenzene - Benzenesulfonyl group - Nitroaromatic compound - Aralkylamine - Monocyclic benzene moiety - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - C-nitro compound - Organic nitro compound - Secondary aliphatic amine - Organic oxoazanium - Secondary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Organic oxygen compound - Amine - Organopnictogen compound - Organic zwitterion - Aromatic homopolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
• 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)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

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

ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

Discover Target: ALOX15

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

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

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

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

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

Alvos associados (não humanos)

lef Anthrax lethal factor (7585 Activities)

Discover Target: lef

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: 50.81, Max Conc. mM: 100
• Peso molecular: 508.100 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 507.196 Da
• Monoisotopic Mass: 507.196 Da
• Topological Polar Surface Area: 112.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 727.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

Perguntas frequentes

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

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

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 191931-56-3, the molecular formula is C25H34ClN3O4S, and the molecular weight is 508.07 g/mol. InChIKey BKCQHNDMUNWNQC-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.