RY796 - Moligand™, ≥98% , CAS No.1393441-53-6

CAS: 1393441-53-6 Cat. No.: R649851 Molecular Weight: 353.46 PubChem CID: 76850157

GRADE & PURITY Moligand™, ≥98%

Synonyms

2-(Dimethylamino)-5-[(2-methyl-1-oxopropyl)amino]-N-[(1R)-1-phenylethyl]benzamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

RY796 is a potent and selective voltage-gated potassium (K V 2) channel inhibitor with IC 50 s of 0.25 μM and 0.09 μM for K V 2.1 and K V 2.2. RY796 has analgesic activity

Form:Solid

IC50& Target:IC50: 0.25 μM (K V 2.1) and 0.09 μM (K V 2.2)

Specifications

Synonyms

2-(Dimethylamino)-5-[(2-methyl-1-oxopropyl)amino]-N-[(1R)-1-phenylethyl]benzamide

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

RY796 is a potent and selective voltage-gated potassium (K V 2) channel inhibitor with IC 50 s of 0.25 μM and 0.09 μM for K V 2.1 and K V 2.2. RY796 has analgesic activity.

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.

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC(C)C(=O)NC1=CC(=C(C=C1)N(C)C)C(=O)NC(C)C2=CC=CC=C2
• IUPAC Name: 2-(dimethylamino)-5-(2-methylpropanoylamino)-N-[(1R)-1-phenylethyl]benzamide
• InChIKey: LDXZFQWWXMRMAS-OAHLLOKOSA-N
• INCHI: 1S/C21H27N3O2/c1-14(2)20(25)23-17-11-12-19(24(4)5)18(13-17)21(26)22-15(3)16-9-7-6-8-10-16/h6-15H,1-5H3,(H,22,26)(H,23,25)/t15-/m1/s1
• Isomeric SMILES: C[C@H](C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)C(C)C)N(C)C
• PubChem CID: 76850157
• MeSH Entry Terms: RY796
• Molecular Weight: 353.46

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Benzamides
          • Level6 N-benzylbenzamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Benzamides
• Direct Parent: N-benzylbenzamides
• Alternative Parents: Acylaminobenzoic acid and derivatives Anthranilamides 2-aminobenzamides Anilides N-arylamides Dialkylarylamines Benzoyl derivatives Aniline and substituted anilines Vinylogous amides Secondary carboxylic acid amides Amino acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: N-benzylbenzamide - Acylaminobenzoic acid or derivatives - Aminobenzamide - Anthranilamide - Aminobenzoic acid or derivatives - 2-aminobenzamide - Anilide - Benzoyl - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - N-arylamide - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Carboxylic acid derivative - Organonitrogen compound - Amine - Carbonyl group - Organic oxide - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-benzylbenzamides. These are compounds containing a benzamide moiety that is N-linked to a benzyl 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

Associated Targets(Human)

KCNB1 Tclin Potassium voltage-gated channel subfamily B member 1 (0 Activities)

Discover Target: KCNB1

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

KCNB2 Tclin Potassium voltage-gated channel subfamily B member 2 (0 Activities)

Discover Target: KCNB2

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

Chemical and Physical Properties

• Solubility: DMSO : 100 mg/mL (282.92 mM; Need ultrasonic)
• Molecular Weight: 353.500 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 353.21 Da
• Monoisotopic Mass: 353.21 Da
• Topological Polar Surface Area: 61.400 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 472.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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