Pacific Blue Succinimidyl Ester - Ex:404nm, Em:455nm, ≥98% , CAS No.215868-33-0

CAS: 215868-33-0 Cat. No.: P638962 Molecular Weight: 339.20 PubChem CID: 56927770

GRADE & PURITY Ex:404nm, Em:455nm, ≥98%

Synonyms

Ocean Blue, SE | PB succiniMidyl ester | (2,5-dioxopyrrolidin-1-yl) 6,8-difluoro-7-hydroxy-2-oxochromene-3-carboxylate | 3-Carboxy-6,8-difluoro-7-hydroxycoumarin succinimidyl ester | 6,8-difluoro-7-hydroxy-2-oxo-2H-chromene-3-carboxylic acid succinimidyl

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Pacific blue succinimidyl ester is an N-hydroxysuccinimide ester derived from 6,8-difluoro-7-hydroxycoumarin-3-carboxylic acid (pacific blue). A fluorescent dye of excitation wavelength 403 nm and emission wavelength 455 nm. It has a role as a fluorochrome. It is a hydroxycoumarin, an organofluorine compound and a N-hydroxysuccinimide ester. It is functionally related to a pacific blue.

Specifications

Synonyms

Ocean Blue, SE | PB succiniMidyl ester | (2, 5-dioxopyrrolidin-1-yl) 6, 8-difluoro-7-hydroxy-2-oxochromene-3-carboxylate | 3-Carboxy-6, 8-difluoro-7-hydroxycoumarin succinimidyl ester | 6, 8-difluoro-7-hydroxy-2-oxo-2H-chromene-3-carboxylic acid succinimidyl

Specifications & Purity

Ex:404nm, Em:455nm, ≥98%

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Em:455nm, Ex:404nm

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1CC(=O)N(C1=O)OC(=O)C2=CC3=CC(=C(C(=C3OC2=O)F)O)F
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 6,8-difluoro-7-hydroxy-2-oxochromene-3-carboxylate
• InChIKey: NZYXABPVYJRICY-UHFFFAOYSA-N
• INCHI: 1S/C14H7F2NO7/c15-7-4-5-3-6(13(21)23-12(5)10(16)11(7)20)14(22)24-17-8(18)1-2-9(17)19/h3-4,20H,1-2H2
• Isomeric SMILES: C1CC(=O)N(C1=O)OC(=O)C2=CC3=CC(=C(C(=C3OC2=O)F)O)F
• PubChem CID: 56927770
• Molecular Weight: 339.20

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Coumarins and derivatives
      • Subclass Hydroxycoumarins

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Coumarins and derivatives
• Subclass: Hydroxycoumarins
• Intermediate Tree Nodes: Not available
• Direct Parent: 7-hydroxycoumarins
• Alternative Parents: 1-benzopyrans O-fluorophenols Pyranones and derivatives Pyrrolidine-2-ones Aryl fluorides Dicarboximides Heteroaromatic compounds Carboxylic acid salts Lactams Lactones Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Organic salts Organofluorides Organonitrogen compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 7-hydroxycoumarin - Benzopyran - 1-benzopyran - 2-fluorophenol - Pyranone - Aryl fluoride - Aryl halide - Pyran - Pyrrolidone - 2-pyrrolidone - Benzenoid - Dicarboximide - Heteroaromatic compound - Pyrrolidine - Carboxylic acid salt - Lactam - Lactone - Organoheterocyclic compound - Oxacycle - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic salt - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 7-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to the C7 position the coumarin skeleton.
• External Descriptors: organofluorine compound - hydroxycoumarin - N-hydroxysuccinimide ester

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

Chemical and Physical Properties

• Solubility: DMSO(Dimethylsulfoxide)
• Sensitivity: Light sensitive; Moisture sensitive
• Molecular Weight: 339.200 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 339.019 Da
• Monoisotopic Mass: 339.019 Da
• Topological Polar Surface Area: 110.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 633.000
• 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

References

1. Su Hongwei, Hu Hua, Li Zhenyu, Yan Guilong, Wang Li, Xiang Dong, Zhao Chunxia, Wu Yuanpeng, Chen Jingyu, Wang Ce.  (2024)  Pre-oxidized PAN Nanofibrous Membrane to Efficiently and Continuously Separate Large-Scale Viscous Oil-in-Water Emulsions Under Harsh Conditions with Ultra-Long-Term Oil-Fouling Recovery.  Advanced Fiber Materials,  6  (3): (852-864).  [PMID:] [10.1007/s42765-024-00383-y]

2. Yuan-Qiang Chen, Meng-Die Xue, Jia-Li Li, Da Huo, Hong-Ming Ding, Yuqiang Ma.  (2024)  Uncovering the Importance of Ligand Mobility on Cellular Uptake of Nanoparticles: Insights from Experimental, Computational, and Theoretical Investigations.  ACS Nano,      [PMID:38346263] [10.1021/acsnano.3c11982]