CCMI - ≥98% , CAS No.917837-54-8

CAS: 917837-54-8 Cat. No.: C287349 분자식: C₁₉H₁₅Cl₂N₃O₂ 분자량: 388.25

등급 & 순도 ≥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

사양

동의어

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

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

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

보관 조건

Protected from light,Store at -20°C

배송

Ice chest + Ice pads

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작업 유형

AGONIST

순수함

≥98%

이름과 식별자

Pubchem Sid

488199017

Pubchem Sid Url

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

정식 스마일

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-

이성체 SMILES

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

분자량

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
    • 분류 Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

관련 대상(인간)

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)

화학 및 물리적 특성

• 용해성: Solvent:DMSO, Max Conc. mg/mL: 38.83, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 3.88, Max Conc. mM: 10
• 감도: Light & Moisture sensitive
• 분자량: 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