ML133 HCl - ≥98% , CAS No.1222781-70-5

CAS: 1222781-70-5 Cat. No.: M129577 Fórmula: C₁₉H₁₉NO.HCl Peso molecular: 313.82 Número CE: 694-462-6

GRADE & PURITY ≥98%

Synonyms

GS-6210 | N-[(4-Methoxyphenyl)methyl]-1-naphthalenemethanamine hydrochloride | N-[(4-methoxyphenyl)methyl]-1-naphthalene-methanamine hydrochloride | CCG-267619 | (4-Methoxybenzyl)(1-naphthylmethyl)amine Hydrochloride | (4-methoxyphenyl)-N-(naphthalen-1-yl

Storage

Store at 2-8°C

Shipped In

Wet ice

Visão geral

ML133 HCl is a selective potassium channel inhibitor for Kir2.1 with IC50 of 1.8 μM (pH 7.4) and 290 nM (pH 8.5), has no effect on Kir1.1 and weak activity for Kir4.1 and Kir7.1
ML133 hydrochloride is a selective inhibitor of the Kir2 family of inward rectifier (IRK, KCNJ) potassium channels. ML133 inhibits Kir2.1 with IC50 of 1.8 μM at pH 7.4 and 290 nM at pH8.5. It exhibits little selectivity against other members of Kir2.x family channels, but has no effect on Kir1.1 (IC50 > 300 μM), and displays weak activity for Kir4.1 (76 μM) and Kir7.1 (33 μM), making ML133 the most selective small molecule inhibitor of the Kir family reported to date. It also showed modest selectivity versus hERG and a larger panel of GPCRs, ion channels and transporters.

Specifications

Sinónimos

GS-6210 | N-[(4-Methoxyphenyl)methyl]-1-naphthalenemethanamine hydrochloride | N-[(4-methoxyphenyl)methyl]-1-naphthalene-methanamine hydrochloride | CCG-267619 | (4-Methoxybenzyl)(1-naphthylmethyl)amine Hydrochloride | (4-methoxyphenyl)-N-(naphthalen-1-yl

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

Selective blocker of inwardly rectifying Kir2 potassium channels (IC50values are 1.8, 2.8, 2.9 and 4.0μM at pH 7.4 for mKir2.1, hKir2.6, hKir2.2 and hKir2.3 respectively). Exhibits no effect on rKir1.1 (IC50> 300μM); displays weak activity at hKir7.1 and

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 504770329
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770329
• Sorrisos canónicos: COC1=CC=C(C=C1)CNCC2=CC=CC3=CC=CC=C32.Cl
• IUPAC Name: 1-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine;hydrochloride
• InChIKey: NGQIBUUFXDPHKT-UHFFFAOYSA-N
• INCHI: 1S/C19H19NO.ClH/c1-21-18-11-9-15(10-12-18)13-20-14-17-7-4-6-16-5-2-3-8-19(16)17;/h2-12,20H,13-14H2,1H3;1H
• SMILES isoméricas: COC1=CC=C(C=C1)CNCC2=CC=CC3=CC=CC=C32.Cl
• WGK Alemanha: 3
• Peso molecular: 313.82
• Reaxy-Rn: 40757246
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=40757246&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Phenylmethylamines Phenoxy compounds Methoxybenzenes Benzylamines Anisoles Aralkylamines Alkyl aryl ethers Dialkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Phenoxy compound - Anisole - Methoxybenzene - Benzylamine - Phenylmethylamine - Phenol ether - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Secondary amine - Secondary aliphatic amine - Ether - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrochloride - Hydrocarbon derivative - Organic oxygen compound - Amine - Aromatic homopolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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

Propriedades químicas e físicas

• Solubilidade: Solvent:DMSO, Max Conc. mg/mL: 31.38, Max Conc. mM: 100
• Peso molecular: 313.800 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 313.123 Da
• Monoisotopic Mass: 313.123 Da
• Topological Polar Surface Area: 21.300 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 298.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1222781-70-5, the molecular formula is C19H20ClNO, and the molecular weight is 313.82 g/mol. InChIKey NGQIBUUFXDPHKT-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.