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

CAS: 135463-81-9 Cat. No.: C190679 分子式: C₁₉H₂₃N₃O₃ 分子量: 341.4

グレード＆純度 ≥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

概要

Product introduction：

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

仕様

同義語

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

仕様と純度

≥98%

保管条件

Room temperature,Argon charged

入荷

Normal

アクションタイプ

ACTIVATOR

純度

≥98%

名前と識別子

パブケム・シド

488188629

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488188629

カノニカル・スマイル

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)

異性体SMILES

CC1=C(OC2=NC3=C(CCCC3)C(=C12)NC(=O)CN4CCCC4=O)C

分子量

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
    • 分類 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
• 分類: 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
• 説明: 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

関連ターゲット（非人間）

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

作用メカニズム

化学的性質と物理的性質

• 感度: Air Sensitive
• 融点（°C）: 225 °C
• 分子量: 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