NH 125 - ≥95% , CAS No.278603-08-0

CAS: 278603-08-0 Cat. No.: N276148 Molecular Weight: 524.56 EC Number: 636-669-6 PubChem CID: 10436839

GRADE & PURITY ≥95%

Synonyms

METAPROTERENOL SULFATE [USP-RS] | A924174 | BCP29662 | Quinidate | 3-Benzyl-1-hexadecyl-2-methyl-1H-imidazol-3-iumiodide | NH125 | nh-125 | SW220089-1 | 1-Hexadecyl-2-methyl-3-(phenylmethyl)-1H-imidazolium iodide | 1-Benzyl-3-cetyl-2-methylimidazolium iod

Storage

Protected from light,Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Store at -20°C. It is important to note that this product is reported to be light sensitive. Store In the Dark. Store under desiccating conditions.

Specifications

Synonyms

METAPROTERENOL SULFATE [USP-RS] | A924174 | BCP29662 | Quinidate | 3-Benzyl-1-hexadecyl-2-methyl-1H-imidazol-3-iumiodide | NH125 | nh-125 | SW220089-1 | 1-Hexadecyl-2-methyl-3-(phenylmethyl)-1H-imidazolium iodide | 1-Benzyl-3-cetyl-2-methylimidazolium iod

Specifications & Purity

≥95%

Biochemical and Physiological Mechanisms

Potent, selective CaMK III inhibitor (IC 50 = 60 nM). Histidine protein kinase inhibitor (IC 50 = 6.6 μM). Induces G1/S cell cycle arrest and apoptosis. Shows anticancer effects. Antibacterial agent in vivo.

Storage

Protected from light, Store at -20°C, Argon charged, Desiccated

Shipped In

Ice chest + Ice pads

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

Note

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.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504765464
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765464
• Canonical Smiles: CCCCCCCCCCCCCCCCN1C=C[N+](=C1C)CC2=CC=CC=C2.[I-]
• IUPAC Name: 1-benzyl-3-hexadecyl-2-methylimidazol-1-ium;iodide
• InChIKey: RVWOHCBHAGBLLT-UHFFFAOYSA-M
• INCHI: 1S/C27H45N2.HI/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-28-23-24-29(26(28)2)25-27-20-17-16-18-21-27;/h16-18,20-21,23-24H,3-15,19,22,25H2,1-2H3;1H/q+1;/p-1
• Isomeric SMILES: CCCCCCCCCCCCCCCCN1C=C[N+](=C1C)CC2=CC=CC=C2.[I-]
• PubChem CID: 10436839
• Molecular Weight: 524.56

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 N-substituted imidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: N-substituted imidazoles
• Alternative Parents: Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic iodide salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzenoid - N-substituted imidazole - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic iodide salt - Organic salt - Organonitrogen compound - Organic cation - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-substituted imidazoles. These are heterocyclic compounds containing an imidazole ring substituted at position 1.
• 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)

EEF2K Tchem Serine/threonine-protein kinase EEF2K (1246 Activities)

Discover Target: EEF2K

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

HEK293 (82097 Activities)

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

Associated Targets(non-human)

Escherichia coli (133304 Activities)

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

Bacillus subtilis (32866 Activities)

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in ethanol to 100 mM and in DMSO to 100 mM
• Sensitivity: light sensitive；Air sensitive
• Molecular Weight: 524.600 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 17
• Exact Mass: 524.263 Da
• Monoisotopic Mass: 524.263 Da
• Topological Polar Surface Area: 8.800 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 364.000
• 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

XLogP3