N-Acetyltaurine - Moligand™, ≥99% , CAS No.19213-70-8

CAS: 19213-70-8 Cat. No.: A1361159 분자식: C₄H₉NO₄S 분자량: 167.18 PubChem CID: 159864

GRADE & PURITY Moligand™, ≥99%

Synonyms

2-acetamidoethane-1-sulfonic acid | 2-Acetamidoethanesulfonic acid | N-acetyl Taurine | Ethanesulfonic acid, 2-(acetylamino)-

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

개요

N-Acetyltaurine (NacT) may be used as a marker for ethanol intake using the HILIC-based liquid chromatography methods and mass spectrometry. N-Acetyltaurine (NAT) is a taurine-derived metabolite regulated by PTER (N-acetyltaurine hydrolase), which catalyzes its hydrolysis to taurine and acetate. NAT can be produced through multiple pathways, including the reverse reaction of PTER, catalyzing taurine acetylation under high acetate conditions, non-enzymatic condensation of taurine with acetyl-CoA, and gut microbiome-mediated production, suggesting microbiota involvement in its regulation. N-Acetyltaurine suppresses appetite through the GFRAL receptor, mitigates inflammation, preserves blood–CSF barrier integrity, and reduces oxidative stress. Acetyltaurine also reduces neuroinflammation by limiting immune cell infiltration and lowering pro-inflammatory cells like neutrophils and macrophages. In vivo studies show it reduces food intake, body weight, and adiposity, while improving glucose tolerance, supporting overall metabolic health.

Specifications

동의어

2-acetamidoethane-1-sulfonic acid | 2-Acetamidoethanesulfonic acid | N-acetyl Taurine | Ethanesulfonic acid, 2-(acetylamino)-

사양 및 순도

Moligand™, ≥99%

보관 조건

Store at 2-8°C,Desiccated

배송

Wet ice

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등급

Moligand™

작업 유형

ACTIVATOR

순수함

≥99%

이름과 식별자

• 정식 스마일: CC(=O)NCCS(=O)(=O)O
• IUPAC Name: 2-acetamidoethanesulfonic acid
• InChIKey: CXJAAWRLVGAKDV-UHFFFAOYSA-N
• INCHI: 1S/C4H9NO4S/c1-4(6)5-2-3-10(7,8)9/h2-3H2,1H3,(H,5,6)(H,7,8,9)
• 이성체 SMILES: CC(=O)NCCS(=O)(=O)O
• PubChem CID: 159864
• 분자량: 167.18

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Organic sulfonic acids and derivatives
      • Subclass Organosulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Organosulfonic acids
• Alternative Parents: Sulfonyls Alkanesulfonic acids Acetamides Secondary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organosulfonic acid - Sulfonyl - Acetamide - Alkanesulfonic acid - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as organosulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom).
• External Descriptors: acetamides - amino sulfonic acid

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

화학 및 물리적 특성

• 감도: Moisture sensitive
• 분자량: 167.190 g/mol
• XLogP3: -1.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 167.025 Da
• Monoisotopic Mass: 167.025 Da
• Topological Polar Surface Area: 91.900 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 202.000
• 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