VU0134992 hydrochloride - ≥98% , CAS No.1052515-91-9

CAS: 1052515-91-9 Cat. No.: V412612 Molecular Weight: 447.84 PubChem CID: 2943675

GRADE & PURITY ≥98%

Synonyms

2 - (2 - bromine - 4 - (1 - methyl ethyl) phenoxy] - N - (2,2,6,6 - methyl - 4 - piperidine) - acetamide hydrochloride | 2- (2-bromo-4-isopropylphenoxy) -N- (2,2,6, 6-tetramethylpiperidine-4-yl) acetamide hydrochloride

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

VU0134992 hydrochloride is a subtype-preferring, orally active and selective Kir4.1 potassium channel pore blocker with IC50 of 0.97 µM.

Specifications

Synonyms

2 - (2 - bromine - 4 - (1 - methyl ethyl) phenoxy] - N - (2, 2, 6, 6 - methyl - 4 - piperidine) - acetamide hydrochloride | 2- (2-bromo-4-isopropylphenoxy) -N- (2, 2, 6, 6-tetramethylpiperidine-4-yl) acetamide hydrochloride

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

VU0134992 is an oral, potent, and selective modulator of the inward rectifier potassium (Kir) channel Kir4.1 (KCNJ10) that induces diuretic, sodium, and potassium excretion in rats

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.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 528767664
• Canonical Smiles: CC(C)C1=CC(=C(C=C1)OCC(=O)NC2CC(NC(C2)(C)C)(C)C)Br.Cl
• IUPAC Name: 2-(2-bromo-4-propan-2-ylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide;hydrochloride
• InChIKey: QXKQUPCNSXWIDX-UHFFFAOYSA-N
• INCHI: 1S/C20H31BrN2O2.ClH/c1-13(2)14-7-8-17(16(21)9-14)25-12-18(24)22-15-10-19(3,4)23-20(5,6)11-15;/h7-9,13,15,23H,10-12H2,1-6H3,(H,22,24);1H
• Isomeric SMILES: CC(C)C1=CC(=C(C=C1)OCC(=O)NC2CC(NC(C2)(C)C)(C)C)Br.Cl
• PubChem CID: 2943675
• Molecular Weight: 447.84

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Cumenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Cumenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Cumenes
• Alternative Parents: Phenylpropanes Phenol ethers Phenoxy compounds Alkyl aryl ethers Bromobenzenes Aryl bromides Piperidines Amino acids and derivatives Secondary carboxylic acid amides Dialkylamines Azacyclic compounds Organopnictogen compounds Organobromides Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Cumene - Phenylpropane - Phenoxy compound - Phenol ether - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Piperidine - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Secondary aliphatic amine - Secondary amine - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrochloride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.
• 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

Chemical and Physical Properties

• Solubility: DMSO: 250 mg/mL (558.24 mM)
• Sensitivity: Moisture Sensitive
• Molecular Weight: 447.800 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 446.134 Da
• Monoisotopic Mass: 446.134 Da
• Topological Polar Surface Area: 50.400 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 449.000
• 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: 2

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