(7-Azabenzotriazol-1-yloxy)tripyrrolidinophosphonium hexafluorophosphate - ≥97% , CAS No.156311-83-0

CAS: 156311-83-0 Cat. No.: A109335 Molecular Weight: 521.38 EC Number: 627-192-4 PubChem CID: 11038641

GRADE & PURITY ≥97%

Synonyms

PyAOP | (7-Aza-1H-benzotriazol-1-yloxy)tri(1-pyrrolidinyl)phosphonium hexafluorophosphate | GS-3263 | PyAOP (7-Azabenzotriazol-1-yloxy)tripyrrolidinophosphoniuM hexafluorophosphate | AKOS000271448 | AKOS016037931 | ((3H-[1,2,3]Triazolo[4,5-b]pyridin-3-yl)

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Reagent for synthesis of: Cyclic RGC pentapeptides for functionalization through click chemistry Fluorescent glucose bioprobes ReactIR? flow cell Reagent for: Disulfide bond engineering Heteroaryl ether synthesis Optimization of conformational constraint on non-phosphorylated cyclic peptide antagonists of the Grb2-SH2 domain

Specifications

Synonyms

PyAOP | (7-Aza-1H-benzotriazol-1-yloxy)tri(1-pyrrolidinyl)phosphonium hexafluorophosphate | GS-3263 | PyAOP (7-Azabenzotriazol-1-yloxy)tripyrrolidinophosphoniuM hexafluorophosphate | AKOS000271448 | AKOS016037931 | ((3H-[1, 2, 3]Triazolo[4, 5-b]pyridin-3-yl)

Specifications & Purity

≥97%

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.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488197087
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197087
• Canonical Smiles: C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)ON4C5=C(C=CC=N5)N=N4.F[P-](F)(F)(F)(F)F
• IUPAC Name: tripyrrolidin-1-yl(triazolo[4,5-b]pyridin-3-yloxy)phosphanium;hexafluorophosphate
• InChIKey: CBZAHNDHLWAZQC-UHFFFAOYSA-N
• INCHI: 1S/C17H27N7OP.F6P/c1-2-11-21(10-1)26(22-12-3-4-13-22,23-14-5-6-15-23)25-24-17-16(19-20-24)8-7-9-18-17;1-7(2,3,4,5)6/h7-9H,1-6,10-15H2;/q+1;-1
• Isomeric SMILES: C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)ON4C5=C(C=CC=N5)N=N4.F[P-](F)(F)(F)(F)F
• WGK Germany: 3
• PubChem CID: 11038641
• Molecular Weight: 521.38

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Triazolopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Triazolopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triazolopyridines
• Alternative Parents: Pyridines and derivatives Triazoles Pyrrolidines Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic salts Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Triazolopyridine - Pyridine - Heteroaromatic compound - 1,2,3-triazole - Pyrrolidine - Azole - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as triazolopyridines. These are compounds containing a triazole ring fused to a pyridine ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
• 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

Chemical and Physical Properties

• Solubility: Soluble in water
• Sensitivity: Light & moisture sensitive.
• Melt Point(°C): 163-168°C
• Molecular Weight: 521.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 5
• Exact Mass: 521.166 Da
• Monoisotopic Mass: 521.166 Da
• Topological Polar Surface Area: 62.600 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 502.000
• 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

References

1. Yan Cai, Weifu Ren, Siqian Li, Rijing Liao, Qi Bian.  (2024)  Deep analysis of total serum N-glycome suggests glyco-signatures for phospholipase A2 receptor 1-related idiopathic membranous nephropathy diagnosis.  Journal of Proteomics,      [PMID:38862068] [10.1016/j.jprot.2024.105223]