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

CAS: 191931-56-3 Cat. No.: N288065 Molecular Weight: 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

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

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

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

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

ANTAGONIST

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504768522
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768522
• Canonical Smiles: 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
• Isomeric SMILES: C1CC(CCC1CNCC2CCC3=CC=CC=C3C2)CNS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-].Cl
• PubChem CID: 16759158
• Molecular Weight: 508.07

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Tetralins

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Associated Targets(Human)

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

Associated Targets(non-human)

lef Anthrax lethal factor (7585 Activities)

Discover Target: lef

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 50.81, Max Conc. mM: 100
• Molecular Weight: 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

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