CIM 0216 - ≥98%(HPLC) , CAS No.1031496-06-6

CAS: 1031496-06-6 Cat. No.: C288831 Fórmula: C₂₁H₂₁N₃O₂ Peso molecular: 347.41 Número CE: 826-844-7

GRAU & PUREZA ≥98%(HPLC)

Synonyms

2-(3,4-Dihydroquinolin-1(2H)-yl)-N-(5-methylisoxazol-3-yl)-2-phenylacetamide | 1031496-06-6 | AS-83982 | AKOS025293508 | Z169225656 | 2-(3,4-Dihydro-1(2H)-quinolinyl)-N-(5-methyl-3-isoxazolyl)-2-phenylacetamide (Adriamycin) | DTXSID501336574 | EN300-21337

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Especificações

Sinónimos

2-(3,4-Dihydroquinolin-1(2H)-yl)-N-(5-methylisoxazol-3-yl)-2-phenylacetamide | 1031496-06-6 | AS-83982 | AKOS025293508 | Z169225656 | 2-(3,4-Dihydro-1(2H)-quinolinyl)-N-(5-methyl-3-isoxazolyl)-2-phenylacetamide (Adriamycin) | DTXSID501336574 | EN300-21337

Especificações e pureza

≥98%(HPLC)

Mecanismos bioquímicos e fisiológicos

Selective TRPM3 agonist. Exhibits selectivity for TRPM3 over TRPM1, TRPM2 and TRPM4-8. Stimulates insulin release from pancreatic islet cellsin vitro. Evokes nocifensive behavior in mice.

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

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

Tipo de ação

AGONIST

Pureza

≥98%(HPLC)

Nomes e identificadores

Pubchem Sid

504770208

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504770208

Sorrisos canónicos

CC1=CC(=NO1)NC(=O)C(C2=CC=CC=C2)N3CCCC4=CC=CC=C43

IUPAC Name

2-(3,4-dihydro-2H-quinolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide

InChIKey

KSEXDSJYVSEVGF-UHFFFAOYSA-N

INCHI

1S/C21H21N3O2/c1-15-14-19(23-26-15)22-21(25)20(17-9-3-2-4-10-17)24-13-7-11-16-8-5-6-12-18(16)24/h2-6,8-10,12,14,20H,7,11,13H2,1H3,(H,22,23,25)

SMILES isoméricas

CC1=CC(=NO1)NC(=O)C(C2=CC=CC=C2)N3CCCC4=CC=CC=C43

Peso molecular

347.41

Reaxy-Rn

35892416

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35892416&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid amides
• Alternative Parents: Phenylacetamides Hydroquinolines N-arylamides Dialkylarylamines Aralkylamines Imidolactams Isoxazoles Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid amide - Tetrahydroquinoline - Phenylacetamide - N-arylamide - Dialkylarylamine - Aralkylamine - Monocyclic benzene moiety - Imidolactam - Benzenoid - Heteroaromatic compound - Azole - Isoxazole - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Oxacycle - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Amine - Organic nitrogen compound - Organic oxide - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
• 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

Alvos associados (não humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solvent:DMSO, Max Conc. mg/mL: 34.74, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 17.37, Max Conc. mM: 50
• Peso molecular: 347.400 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 347.163 Da
• Monoisotopic Mass: 347.163 Da
• Topological Polar Surface Area: 58.400 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 480.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1