ML 402 - ≥98%(HPLC) , CAS No.298684-44-3

CAS: 298684-44-3 Cat. No.: M288875 Summenformel: C₁₄H₁₄ClNO₂S Molekulargewicht: 295.78 EG-Nummer: 840-226-4

GRADE & PURITY ≥98%(HPLC)

Synonyms

RULQUKFOBAPKKR-UHFFFAOYSA-N | EU-0052515 | A912003 | 2-Thiophenecarboxamide, N-[2-(4-chloro-2-methylphenoxy)ethyl]- | SR-01000529773 | Thiophene-2-carboxylic acid [2-(4-chloro-2-methylphenoxy)ethyl]amide | YLA68444 | ML402 | SR-01000529773-1 | BS-16444 |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

RULQUKFOBAPKKR-UHFFFAOYSA-N | EU-0052515 | A912003 | 2-Thiophenecarboxamide, N-[2-(4-chloro-2-methylphenoxy)ethyl]- | SR-01000529773 | Thiophene-2-carboxylic acid [2-(4-chloro-2-methylphenoxy)ethyl]amide | YLA68444 | ML402 | SR-01000529773-1 | BS-16444 |

Spezifikationen & Reinheit

≥98%(HPLC)

Biochemische und physiologische Mechanismen

ML402 is a selective activator of K2P2.1 (TREK-1) and K2P10.1 (TREK-2) potassium channels. It was used to determine a cryptic selectivity filter binding site of the K2P2.1 (TREK-1) channel, designated the K2P modulator pocket. This binding pocket stabiliz

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Aktionsart

ACTIVATOR

Reinheit

≥98%(HPLC)

Namen und Kennungen

• Pubchem Sid: 504759417
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759417
• Kanonisches Lächeln: CC1=C(C=CC(=C1)Cl)OCCNC(=O)C2=CC=CS2
• IUPAC Name: N-[2-(4-chloro-2-methylphenoxy)ethyl]thiophene-2-carboxamide
• InChIKey: RULQUKFOBAPKKR-UHFFFAOYSA-N
• INCHI: 1S/C14H14ClNO2S/c1-10-9-11(15)4-5-12(10)18-7-6-16-14(17)13-3-2-8-19-13/h2-5,8-9H,6-7H2,1H3,(H,16,17)
• Isomere SMILES: CC1=C(C=CC(=C1)Cl)OCCNC(=O)C2=CC=CS2
• Molekulargewicht: 295.78
• Reaxy-Rn: 31493825
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31493825&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Thiophenes
      • Subclass Thiophene carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Thiophenes
• Subclass: Thiophene carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiophene carboxamides
• Alternative Parents: Phenoxy compounds Phenol ethers 2-heteroaryl carboxamides Toluenes Chlorobenzenes Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-heteroaryl carboxamide - Phenoxy compound - Thiophene carboxamide - Phenol ether - Alkyl aryl ether - Toluene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as thiophene carboxamides. These are compounds containing a thiophene ring which bears a carboxamide.
• 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:DMSO, Max Conc. mg/mL: 29.58, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 14.79, Max Conc. mM: 50
• Molekulargewicht: 295.800 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 295.043 Da
• Monoisotopic Mass: 295.043 Da
• Topological Polar Surface Area: 66.600 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 303.000
• 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

Häufig gestellte Fragen

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. 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 298684-44-3, the molecular formula is C14H14ClNO2S, and the molecular weight is 295.78 g/mol. InChIKey RULQUKFOBAPKKR-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.