ML 365 - ≥98% , CAS No.947914-18-3

CAS: 947914-18-3 Cat. No.: M287099 分子式: C₂₂H₂₀N₂O₃ 分子量: 360.41

グレード＆純度 ≥98%

Synonyms

ML365|2-Methoxy-N-[3-[(3-methylbenzoyl)amino]phenyl]benzamide|2-methoxy-N-(3-(3-methylbenzamido)phenyl)benzamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

仕様

同義語

ML365 | 2-Methoxy-N-[3-[(3-methylbenzoyl)amino]phenyl]benzamide | 2-methoxy-N-(3-(3-methylbenzamido)phenyl)benzamide

仕様と純度

≥98%

生化学的・生理学的メカニズム

Potent and selective TASK-1 (K2P3.1/KCNK3) channel blocker (IC50values are 4 and 390 nM at TASK-1 and TASK-3, respectively). Displays little or no inhibition at Kir2.1, voltage-gated potassium channels, KCNQ2 and KV11.1 (hERG).

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

パブケム・シド

504770788

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504770788

カノニカル・スマイル

CC1=CC(=CC=C1)C(=O)NC2=CC(=CC=C2)NC(=O)C3=CC=CC=C3OC

IUPAC Name

2-methoxy-N-[3-[(3-methylbenzoyl)amino]phenyl]benzamide

InChIKey

UTAJHKSGYJSZBR-UHFFFAOYSA-N

INCHI

1S/C22H20N2O3/c1-15-7-5-8-16(13-15)21(25)23-17-9-6-10-18(14-17)24-22(26)19-11-3-4-12-20(19)27-2/h3-14H,1-2H3,(H,23,25)(H,24,26)

異性体SMILES

CC1=CC(=CC=C1)C(=O)NC2=CC(=CC=C2)NC(=O)C3=CC=CC=C3OC

分子量

360.41

Reaxy-Rn

20197987

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20197987&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: m-Toluamides Benzamides Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Secondary carboxylic acid amides Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzanilide - Benzamide - Benzoic acid or derivatives - Toluamide - M-toluamide - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Toluene - Alkyl aryl ether - Secondary carboxylic acid amide - Carboxamide group - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
• 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

関連ターゲット（人間）

KCNK3 Tclin Potassium channel subfamily K member 3 (3 Activities)

Discover Target: KCNK3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

KCNK9 Tclin Potassium channel subfamily K member 9 (3 Activities)

Discover Target: KCNK9

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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

GRM5 Tchem Metabotropic glutamate receptor 5 (5733 Activities)

Discover Target: GRM5

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

U2OS (164939 Activities)

Explore this target

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

HEK-293T (167025 Activities)

Explore this target

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

関連ターゲット（非人間）

Kcnq2 Voltage-gated potassium channel subunit Kv7.2 (95 Activities)

Discover Target: Kcnq2

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

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Kcnk3 Potassium channel subfamily K member 3 (21 Activities)

Discover Target: Kcnk3

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

Kcnk9 Potassium channel subfamily K member 9 (8 Activities)

Discover Target: Kcnk9

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

Kcnj2 Inward rectifier potassium channel 2 (11 Activities)

Discover Target: Kcnj2

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Solvent:DMSO, Max Conc. mg/mL: 36.04, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 18.02, Max Conc. mM: 50
• 分子量: 360.400 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 360.147 Da
• Monoisotopic Mass: 360.147 Da
• Topological Polar Surface Area: 67.400 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 510.000
• 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