Nefiracetam - ≥98% , CAS No.77191-36-7

CAS: 77191-36-7 Cat. No.: N129604 Molecular Weight: 246.3 EC Number: 636-080-4

GRADE & PURITY ≥98%

Synonyms

DM 9384 | INF 4668 | N-(2,6-Dimethylphenyl)-2-(2-oxo-1-pyrrolidinyl]acetamide | Tox21_113521 | AC-32883 | Q6039388 | DTXSID2020923 | NEFIRACETAM [MART.] | T72927 | KS-5226 | Motiva | Sodium 2-((2,6-dichloro-3-methylphenyl)amino)benzoate | Tox21_113521_1 |

Storage

Room temperature

Shipped In

Normal

Overview

Nefiracetam is a GABAergic, cholinergic, and monoaminergic neuronal system enhancer for Ro 5-4864-induced convulsions.
Activator of L/N-type calcium channels, cholinergic, monoaminergic and GABAergic systems.

Specifications

Synonyms

DM 9384 | INF 4668 | N-(2, 6-Dimethylphenyl)-2-(2-oxo-1-pyrrolidinyl]acetamide | Tox21_113521 | AC-32883 | Q6039388 | DTXSID2020923 | NEFIRACETAM [MART.] | T72927 | KS-5226 | Motiva | Sodium 2-((2, 6-dichloro-3-methylphenyl)amino)benzoate | Tox21_113521_1 |

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Nefiracetam is a nootropic of the racetam family. Nefiracetam is cognitive enhancer with an IC50 of approximately 150–200 μM for Ro 5-4864. This compound activates L/N-type calcium channels, cholinergic, monoaminergic and GABAergic systems. Nefiracetam di

Storage

Room temperature

Shipped In

Normal

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504754607
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754607
• Canonical Smiles: CC1=C(C(=CC=C1)C)NC(=O)CN2CCCC2=O
• IUPAC Name: N-(2,6-dimethylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
• InChIKey: NGHTXZCKLWZPGK-UHFFFAOYSA-N
• INCHI: 1S/C14H18N2O2/c1-10-5-3-6-11(2)14(10)15-12(17)9-16-8-4-7-13(16)18/h3,5-6H,4,7-9H2,1-2H3,(H,15,17)
• Isomeric SMILES: CC1=C(C(=CC=C1)C)NC(=O)CN2CCCC2=O
• WGK Germany: 3
• RTECS: UX9655650
• Molecular Weight: 246.3
• Reaxy-Rn: 6848330
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6848330&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class 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
• Class: 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: Anilides m-Xylenes N-arylamides Pyrrolidine-2-ones N-alkylpyrrolidines Tertiary carboxylic acid amides Secondary carboxylic acid amides Lactams Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Anilide - N-arylamide - Xylene - M-xylene - 2-pyrrolidone - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Pyrrolidone - Pyrrolidine - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: 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

Associated Targets(Human)

PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 Activities)

Discover Target: PIN1

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

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Faah Anandamide amidohydrolase (3907 Activities)

Discover Target: Faah

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in DMSO (49 mg/ml at 25 °C), water (5 mg/ml at 25 °C), and ethanol (49 mg/ml at 25 °C).
• Melt Point(°C): 151 °C
• Molecular Weight: 246.300 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 246.137 Da
• Monoisotopic Mass: 246.137 Da
• Topological Polar Surface Area: 49.400 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 320.000
• 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