Coluracetam - ≥98% , CAS No.135463-81-9

CAS: 135463-81-9 Cat. No.: C190679 Peso molecular: 341.4

GRADE & PURITY ≥98%

Synonyms

DS-14004 | DTXSID60159386 | AC-31948 | C3689 | Coluracetam;MKC-231;BCI-540 | FT-0697594 | F16433 | A857829 | Coluracetam | N-{2,3-DIMETHYL-5H,6H,7H,8H-FURO[2,3-B]QUINOLIN-4-YL}-2-(2-OXOPYRROLIDIN-1-YL)ACETAMIDE | NCGC00378715-01 | MKC 231 | MKC-231 | Q368

Storage

Room temperature,Argon charged

Shipped In

Normal

Descripción general

Product introduction：

Coluracetam(MKC-231) is a Choline Uptake Enhancer.

Specifications

Sinónimos

DS-14004 | DTXSID60159386 | AC-31948 | C3689 | Coluracetam;MKC-231;BCI-540 | FT-0697594 | F16433 | A857829 | Coluracetam | N-{2, 3-DIMETHYL-5H, 6H, 7H, 8H-FURO[2, 3-B]QUINOLIN-4-YL}-2-(2-OXOPYRROLIDIN-1-YL)ACETAMIDE | NCGC00378715-01 | MKC 231 | MKC-231 | Q368

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488188629
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188629
• Sonrisas canónicas: CC1=C(OC2=NC3=C(CCCC3)C(=C12)NC(=O)CN4CCCC4=O)C
• IUPAC Name: N-(2,3-dimethyl-5,6,7,8-tetrahydrofuro[2,3-b]quinolin-4-yl)-2-(2-oxopyrrolidin-1-yl)acetamide
• InChIKey: PSPGQHXMUKWNDI-UHFFFAOYSA-N
• INCHI: 1S/C19H23N3O3/c1-11-12(2)25-19-17(11)18(13-6-3-4-7-14(13)20-19)21-15(23)10-22-9-5-8-16(22)24/h3-10H2,1-2H3,(H,20,21,23)
• Isómeros SMILES: CC1=C(OC2=NC3=C(CCCC3)C(=C12)NC(=O)CN4CCCC4=O)C
• Peso molecular: 341.4
• Reaxy-Rn: 7497180
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7497180&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Furopyridines N-arylamides N-alkylpyrrolidines Pyridines and derivatives Pyrrolidine-2-ones Heteroaromatic compounds Tertiary carboxylic acid amides Furans Secondary carboxylic acid amides Lactams Azacyclic compounds Oxacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid or derivatives - Furopyridine - N-arylamide - Pyridine - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Furan - Pyrrolidine - Tertiary carboxylic acid amide - Heteroaromatic compound - Secondary carboxylic acid amide - Lactam - Carboxamide group - Organoheterocyclic compound - Azacycle - Oxacycle - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• 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 (no 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

Rattus norvegicus (775804 Activities)

Explore this target

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 acción

Propiedades químicas y físicas

• Sensibilidad: Air Sensitive
• Punto de fusión (°C): 225 °C
• Peso molecular: 341.400 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 341.174 Da
• Monoisotopic Mass: 341.174 Da
• Topological Polar Surface Area: 75.400 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 540.000
• 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