N-(4-Aminobutyl)acetamide(NAP) - ≥97% , CAS No.5699-41-2

CAS: 5699-41-2 Cat. No.: N159176 Molecular Weight: 130.19 EC Number: 691-457-0

GRADE & PURITY ≥97%

Synonyms

Q27102595 | DTXSID80205596 | BH166424 | CHEBI:17768 | Z600498842 | A4036 | AKOS005215796 | H12005 | 8FTM5ZL5A6 | UNII-8FTM5ZL5A6 | 4-acetylaminobutylamine | BDBM50405938 | C02714 | N-acetylputrescine

Storage

Room temperature,Argon charged,Cool

Shipped In

Normal

Overview

N-Acetylputrescine is a polyamine metabolite that regulates cell proliferation and signal transduction mainly by participating in polyamine acetylation modification. N-Acetylputrescine may reduce the positive charge of polyamines, affect protein-nucleic acid interactions, and promote cell growth. The concentration changes of N-Acetylputrescine can help disease diagnosis (such as early screening and efficacy evaluation of lung cancer) and microbial cell wall structure research. N-Acetylputrescine can be used as a potential biomarker for the progression of squamous cell carcinoma of the lung (SCCL) and Parkinson's disease (PD).

Specifications

Synonyms

Q27102595 | DTXSID80205596 | BH166424 | CHEBI:17768 | Z600498842 | A4036 | AKOS005215796 | H12005 | 8FTM5ZL5A6 | UNII-8FTM5ZL5A6 | 4-acetylaminobutylamine | BDBM50405938 | C02714 | N-acetylputrescine

Specifications & Purity

≥97%

Storage

Room temperature, Argon charged, Cool

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488187672
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187672
• Canonical Smiles: CC(=O)NCCCCN
• IUPAC Name: N-(4-aminobutyl)acetamide
• InChIKey: KLZGKIDSEJWEDW-UHFFFAOYSA-N
• INCHI: 1S/C6H14N2O/c1-6(9)8-5-3-2-4-7/h2-5,7H2,1H3,(H,8,9)
• Isomeric SMILES: CC(=O)NCCCCN
• Molecular Weight: 130.19
• Reaxy-Rn: 1749697
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1749697&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboximidic acids and derivatives
      • Subclass Carboximidic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboximidic acids and derivatives
• Subclass: Carboximidic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboximidic acids
• Alternative Parents: Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as carboximidic acids. These are organic acids with the general formula RC(=N)-OH (R=H, organic group).
• External Descriptors: an aliphatic N-acetyl-diamine

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)

PAOX Tchem Polyamine oxidase (84 Activities)

Discover Target: PAOX

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air Sensitive
• Refractive Index: 1.48
• Boil Point(°C): 120°C/0.6mmHg(lit.)
• Molecular Weight: 130.190 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 130.111 Da
• Monoisotopic Mass: 130.111 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 83.100
• 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