FEMA 4774 - ≥98% , CAS No.1359963-68-0

CAS: 1359963-68-0 Cat. No.: F412810 Peso molecular: 359.4

GRADE & PURITY ≥98%

Synonyms

FEMA4774 | SCHEMBL621646 | 3-Quinolinecarboxylic acid, 4-amino-5-(2,2-dimethyl-3-((1-methylethyl)amino)-3-oxopropoxy)-2-methyl- | FEMA4774(S9632) | FEMA 4774 | 4-amino-5-[2,2-dimethyl-3-oxo-3-(propan-2-ylamino)propoxy]-2-methylquinoline-3-carboxylic acid

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Information

FEMA 4774 (S9632) is a positive allosteric modulator of T1R2/T1R3. FEMA 4774 (S9632) shows obvious enhancement of the sweetness of sucrose in sensory evaluation tests.

Specifications

Sinónimos

FEMA4774 | SCHEMBL621646 | 3-Quinolinecarboxylic acid, 4-amino-5-(2, 2-dimethyl-3-((1-methylethyl)amino)-3-oxopropoxy)-2-methyl- | FEMA4774(S9632) | FEMA 4774 | 4-amino-5-[2, 2-dimethyl-3-oxo-3-(propan-2-ylamino)propoxy]-2-methylquinoline-3-carboxylic acid

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

FEMA 4774 (S9632) is a positive allosteric modulator of T1R2/T1R3. FEMA 4774 (S9632) shows obvious enhancement of the sweetness of sucrose in sensory evaluation tests.

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC1=C(C(=C2C(=N1)C=CC=C2OCC(C)(C)C(=O)NC(C)C)N)C(=O)O
• IUPAC Name: 4-amino-5-[2,2-dimethyl-3-oxo-3-(propan-2-ylamino)propoxy]-2-methylquinoline-3-carboxylic acid
• InChIKey: RHXLOOCFQPJWBW-UHFFFAOYSA-N
• INCHI: 1S/C19H25N3O4/c1-10(2)21-18(25)19(4,5)9-26-13-8-6-7-12-15(13)16(20)14(17(23)24)11(3)22-12/h6-8,10H,9H2,1-5H3,(H2,20,22)(H,21,25)(H,23,24)
• Isómeros SMILES: CC1=C(C(=C2C(=N1)C=CC=C2OCC(C)(C)C(=O)NC(C)C)N)C(=O)O
• Peso molecular: 359.4
• Reaxy-Rn: 22211630
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22211630&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Quinolines and derivatives
      • Subclass Quinoline carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Quinoline carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoline carboxylic acids
• Alternative Parents: 4-aminoquinolines Pyridinecarboxylic acids Phenol ethers Alkyl aryl ethers Methylpyridines Aminopyridines and derivatives Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Primary amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline-3-carboxylic acid - 4-aminoquinoline - Aminoquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Phenol ether - Alkyl aryl ether - Aminopyridine - Methylpyridine - Benzenoid - Pyridine - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Amino acid - Secondary carboxylic acid amide - Ether - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Amine - Carbonyl group - Organic oxide - Primary amine - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at one or more positions.
• 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

Objetivos asociados (humanos)

Homo sapiens (32628 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: light sensitive
• Peso molecular: 359.400 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 359.185 Da
• Monoisotopic Mass: 359.185 Da
• Topological Polar Surface Area: 115.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 523.000
• 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