Ester d'acridinium C2 NHS - ≥97% , CAS No.177332-37-5

CAS: 177332-37-5 Cat. No.: A333170 Formule: C₂₉H₂₃F₃N₂O₉S Poids moléculaire: 632.56

GRADE & PURITY ≥97%

Synonyms

Acridinium C2 N-hydroxysuccinimide ester | 9[[4-[3-[(2,5-dioxo-1-pyrrolidinyl)oxy]-3-oxopropyl]phénoxy]carbonyl]-10-méthyl-acridinium, 1,1,1-trifluorométhanesulfonate | 4-(2-Succinimidyl-oxycarbonylethyl)-phényl-10-acridinium-9-carboxylate Triflurorméthyl

Storage

Conserver à -20°C

Shipped In

Glacière + blocs de glace

Vue d’ensemble

L'ester NHS d'acridinium C2 peut être utilisé pour marquer les protéines et les acides nucléiques, car l'ester NHS d'acridinium lié de manière covalente se chimilumine en présence de peroxyde d'hydrogène. Les protéines marquées par la suite sont utiles pour les dosages immunologiques.

Specifications

Synonymes

Acridinium C2 N-hydroxysuccinimide ester | 9[[4-[3-[(2,5-dioxo-1-pyrrolidinyl)oxy]-3-oxopropyl]phénoxy]carbonyl]-10-méthyl-acridinium, 1,1,1-trifluorométhanesulfonate | 4-(2-Succinimidyl-oxycarbonylethyl)-phényl-10-acridinium-9-carboxylate Triflurorméthyl

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Conserver à -20°C

Expédié en

Glacière + blocs de glace

Pureté

≥97%

Noms et identifiants

Pubchem Sid

504770777

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504770777

Sourires canoniques

C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C(=O)OC4=CC=C(C=C4)CCC(=O)ON5C(=O)CCC5=O.C(F)(F)(F)S(=O)(=O)[O-]

IUPAC Name

[4-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]phenyl] 10-methylacridin-10-ium-9-carboxylate;trifluoromethanesulfonate

InChIKey

NFDRKKHKYOEOLR-UHFFFAOYSA-M

INCHI

1S/C28H23N2O6.CHF3O3S/c1-29-22-8-4-2-6-20(22)27(21-7-3-5-9-23(21)29)28(34)35-19-13-10-18(11-14-19)12-17-26(33)36-30-24(31)15-16-25(30)32;2-1(3,4)8(5,6)7/h2-11,13-14H,12,15-17H2,1H3;(H,5,6,7)/q+1;/p-1

Isomères SMILES

C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C(=O)OC4=CC=C(C=C4)CCC(=O)ON5C(=O)CCC5=O.C(F)(F)(F)S(=O)(=O)[O-]

Poids moléculaire

632.56

Reaxy-Rn

50880677

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=50880677&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Quinolines and derivatives
      • Subclass Benzoquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Benzoquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Acridines
• Alternative Parents: Phenol esters Pyridinecarboxylic acids Trifluoromethanesulfonates Phenoxy compounds Pyrrolidine-2-ones Pyridinium derivatives Dicarboximides Heteroaromatic compounds Methanesulfonates Organosulfonic acids Sulfonyls Lactams Carboxylic acid esters Trihalomethanes Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives Organofluorides Organonitrogen compounds Alkyl fluorides Organic cations
• Molecular Framework: Not available
• Substituents: Acridine - Phenol ester - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Phenoxy compound - Trifluoromethanesulfonate - Monocyclic benzene moiety - Pyridine - Pyridinium - Pyrrolidone - 2-pyrrolidone - Benzenoid - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Dicarboximide - Pyrrolidine - Methanesulfonate - Carboxylic acid ester - Lactam - Trihalomethane - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alkyl fluoride - Organic nitrogen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organooxygen compound - Alkyl halide - Hydrocarbon derivative - Halomethane - Organosulfur compound - Carbonyl group - Organic oxygen compound - Organic oxide - Organic cation - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as acridines. These are organic compounds containing the acridine moiety, a linear tricyclic heterocycle which consists of two benzene rings joined by a pyridine 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

Propriétés chimiques et physiques

• Solubilité: Soluble in DMSO (~25 mg/ml), methanol, DMF (~25 mg/ml), and 1:1 solution of DMSO: PBS (pH 7.2) (~1 1 mg/ml). Insoluble in water.
• Point de fusion (°C): 230-232° C
• Poids moléculaire: 632.600 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 8
• Exact Mass: 632.108 Da
• Monoisotopic Mass: 632.108 Da
• Topological Polar Surface Area: 159.000 Ų
• Heavy Atom Count: 44
• Formal Charge: 0
• Complexity: 958.000
• 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: 2

XLogP3