N-Acetylsulfamerazine - ≥98% , CAS No.127-73-1

CAS: 127-73-1 Cat. No.: N354383 Peso molecular: 306.34 Número EC: 204-861-5

GRADE & PURITY ≥98%

Synonyms

Oprea1_038070 | Acetamide, N-[4-[[(4-methyl-2-pyrimidinyl)amino]sulfonyl]phenyl]- | UNII-S0D41HX8KG | Acetylsulfamerazine | N(4)-Acetylsulfamerazine | MLS001205096 | NCGC00245253-01 | SR-01000451152 | SB57881 | SCHEMBL13409107 | SMR000516270 | AKOS0007150

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

N-Acetylsulfamerazine is the main metabolite of anti-bacterial drug Sulfamerazine.

Specifications

Sinónimos

Oprea1_038070 | Acetamide, N-[4-[[(4-methyl-2-pyrimidinyl)amino]sulfonyl]phenyl]- | UNII-S0D41HX8KG | Acetylsulfamerazine | N(4)-Acetylsulfamerazine | MLS001205096 | NCGC00245253-01 | SR-01000451152 | SB57881 | SCHEMBL13409107 | SMR000516270 | AKOS0007150

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504754133
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754133
• Sonrisas canónicas: CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C
• IUPAC Name: N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
• InChIKey: PHFJZKMLXDFUNB-UHFFFAOYSA-N
• INCHI: 1S/C13H14N4O3S/c1-9-7-8-14-13(15-9)17-21(19,20)12-5-3-11(4-6-12)16-10(2)18/h3-8H,1-2H3,(H,16,18)(H,14,15,17)
• Isómeros SMILES: CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C
• Peso molecular: 306.34
• Reaxy-Rn: 308399
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=308399&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Acetanilides N-acetylarylamines Benzenesulfonyl compounds Pyrimidines and pyrimidine derivatives Organosulfonamides Heteroaromatic compounds Aminosulfonyl compounds Acetamides Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Acetanilide - Benzenesulfonamide - N-acetylarylamine - Benzenesulfonyl group - Anilide - N-arylamide - Pyrimidine - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Acetamide - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
• 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 (humanos)

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

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

Objetivos asociados (no humanos)

Plasmodium falciparum (966862 Activities)

Explore this target

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

fba Putative fructose-1,6-bisphosphate aldolase (15559 Activities)

Discover Target: fba

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in Methanol
• Punto de fusión (°C): >227° C (dec.)
• Peso molecular: 306.340 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 306.079 Da
• Monoisotopic Mass: 306.079 Da
• Topological Polar Surface Area: 109.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 455.000
• 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