QX-222 - ≥99% , CAS No.21236-55-5

CAS: 21236-55-5 Cat. No.: Q275161 Summenformel: C13H21ClN2O Molekulargewicht: 256.77 PubChem CID: 5014

GRADE & PURITY ≥99%

Synonyms

Lopac-L-1788 | NCGC00015597-01 | QX-222 | Lopac0_000707 | SCHEMBL94463 | CHEBI:92720 | 2-[(2,6-Dimethylphenyl)imino]-2-hydroxy-N,N,N-trimethylethan-1-aminium | 2-[(2,6-dimethylphenyl)amino]-n,n,n-trimethyl-2-oxoethanaminium | NCGC00015597-03 | NCGC0002496

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Übersicht

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Synonyme

Lopac-L-1788 | NCGC00015597-01 | QX-222 | Lopac0_000707 | SCHEMBL94463 | CHEBI:92720 | 2-[(2,6-Dimethylphenyl)imino]-2-hydroxy-N,N,N-trimethylethan-1-aminium | 2-[(2,6-dimethylphenyl)amino]-n,n,n-trimethyl-2-oxoethanaminium | NCGC00015597-03 | NCGC0002496

Spezifikationen & Reinheit

≥99%

Biochemische und physiologische Mechanismen

Na + channel blocker. Lidocaine derivative. Also available in simple stock solutions add 1 ml of water to get an exact, ready-to-use concentration.

Storage

Store at -20°C,Desiccated

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Hinweis

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Reinheit

≥99%

Namen und Kennungen

Kanonisches Lächeln

CC1=C(C(=CC=C1)C)NC(=O)C[N+](C)(C)C

IUPAC Name

[2-(2,6-dimethylanilino)-2-oxoethyl]-trimethylazanium

InChIKey

QYUXPWDVDMSTKR-UHFFFAOYSA-O

INCHI

1S/C13H20N2O/c1-10-7-6-8-11(2)13(10)14-12(16)9-15(3,4)5/h6-8H,9H2,1-5H3/p+1

Isomere SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[N+](C)(C)C

PubChem CID

5014

Molekulargewicht

256.77

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Xylenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Xylenes
• Intermediate Tree Nodes: Not available
• Direct Parent: m-Xylenes
• Alternative Parents: Tetraalkylammonium salts Carboximidic acids Organopnictogen compounds Organooxygen compounds Organic salts Hydrocarbon derivatives Amines Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: M-xylene - Tetraalkylammonium salt - Quaternary ammonium salt - Carboximidic acid derivative - Carboximidic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organonitrogen compound - Amine - Organic cation - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as m-xylenes. These are aromatic compounds that contain a m-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 3-positions.
• 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

Zugehörige Ziele (menschlich)

CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

Discover Target: CHRM1

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

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

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

NFKB1 Tclin Nuclear factor NF-kappa-B p105 subunit (1459 Activities)

Discover Target: NFKB1

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

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

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

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

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

CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

Discover Target: CYP2C19

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

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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

Zugehörige Ziele (nicht menschlich)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water to 100 mM
• Molekulargewicht: 221.320 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 221.165 Da
• Monoisotopic Mass: 221.165 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 1
• Complexity: 235.000
• 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