CCMI - ≥98% , CAS No.917837-54-8

CAS: 917837-54-8 Cat. No.: C287349 分子式: C₁₉H₁₅Cl₂N₃O₂ 分子量: 388.25

グレード＆純度 ≥98%

Synonyms

5-Isoxazoleacetamide,N-(4-chlorophenyl)-a-[[(4-chlorophenyl)amino]methylene]-3-methyl- | (Z)-3-(4-Chloroanilino)-N-(4-chlorophenyl)-2-(3-methylisoxazol-5-yl)prop-2-enamide | AVL-3288 | SCHEMBL1459686 | UNII-VA80VAX4WF | AKOS040759132 | CCMI | UCI-4083 | A

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

仕様

同義語

5-Isoxazoleacetamide,N-(4-chlorophenyl)-a-[[(4-chlorophenyl)amino]methylene]-3-methyl- | (Z)-3-(4-Chloroanilino)-N-(4-chlorophenyl)-2-(3-methylisoxazol-5-yl)prop-2-enamide | AVL-3288 | SCHEMBL1459686 | UNII-VA80VAX4WF | AKOS040759132 | CCMI | UCI-4083 | A

仕様と純度

≥98%

生化学的・生理学的メカニズム

Positive allosteric modulator ofα7 neuronal nicotinic acetylcholine receptors (nAChR). Evokes positive modulation of acetylcholine (ACh)-induced EC5currents (EC50= 0.7μM). Exhibits cognitive-enhancing properties in rodent models; displays no cytotoxic eff

保管条件

Protected from light,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。

アクションタイプ

AGONIST

純度

≥98%

名前と識別子

パブケム・シド

488199017

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488199017

カノニカル・スマイル

CC1=NOC(=C1)C(=CNC2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)Cl

IUPAC Name

(Z)-3-(4-chloroanilino)-N-(4-chlorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)prop-2-enamide

InChIKey

VMAKIACTLSBBIY-BOPFTXTBSA-N

INCHI

1S/C19H15Cl2N3O2/c1-12-10-18(26-24-12)17(11-22-15-6-2-13(20)3-7-15)19(25)23-16-8-4-14(21)5-9-16/h2-11,22H,1H3,(H,23,25)/b17-11-

異性体SMILES

CC1=NOC(=C1)/C(=C/NC2=CC=C(C=C2)Cl)/C(=O)NC3=CC=C(C=C3)Cl

分子量

388.25

Reaxy-Rn

15418218

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15418218&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Anilides
• Alternative Parents: N-arylamides Aniline and substituted anilines Chlorobenzenes Aryl chlorides Vinylogous amides Isoxazoles Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Enamines Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Anilide - Aniline or substituted anilines - N-arylamide - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Isoxazole - Vinylogous amide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Oxacycle - Enamine - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.
• 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）

CHRNA7 Tchem Neuronal acetylcholine receptor subunit alpha-7 (4 Activities)

Discover Target: CHRNA7

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

化学的性質と物理的性質

• 溶解度: Solvent:DMSO, Max Conc. mg/mL: 38.83, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 3.88, Max Conc. mM: 10
• 感度: Light & Moisture sensitive
• 分子量: 388.200 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 387.054 Da
• Monoisotopic Mass: 387.054 Da
• Topological Polar Surface Area: 67.200 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 501.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1