 Home > Encyclopedia > Pentosidine

Pentosidine

Pentosidine structure

CAS No:
124505-87-9
Formula:
C17H26N6O4
Chemical Name:
Pentosidine
Synonyms:
4H-Imidazo[4,5-b]pyridine-4-hexanoic acid,α-amino-2-[[(4S)-4-amino-4-carboxybutyl]amino]-,(αS)-;4H-Imidazo[4,5-b]pyridine-4-hexanoic acid,α-amino-2-[(4-amino-4-carboxybutyl)amino]-,[S-(R*,R*)]-;(αS)-α-Amino-2-[[(4S)-4-amino-4-carboxybutyl]amino]-4H-imidazo[4,5-b]pyridine-4-hexanoic acid;Pentosidine
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

Solid

Pentosidine is an imidazopyridine having norleucine and ornithine residues attached via their side-chains at the 4- and 2-positions respectively. It has a role as a cross-linking reagent and a biomarker. It is an imidazopyridine and a non-proteinogenic L-alpha-amino acid.

Pentosidine Basic Attributes

Molecular Weight：

378.42600

Exact Mass：

378.43

UNII：

BJ4I2X2CQJ

DSSTox ID：

DTXSID60154417

Characteristics

PSA：

169.38000

XLogP3：

2.09110

Density：

1.47g/cm3

Boiling Point：

655.6ºC

Flash Point：

350.3ºC

Refractive Index：

1.672

Vapor Pressure：

7.05E-19mmHg at 25°C

Drug Information

MeSH：

Reagents with two reactive groups, usually at opposite ends of the molecule, that are capable of reacting with and thereby forming bridges between side chains of amino acids in proteins; the locations of naturally reactive areas within proteins can thereby be identified; may also be used for other macromolecules, like glycoproteins, nucleic acids, or other. (See all compounds classified as Cross-Linking Reagents.)

MeSH Entry Terms：

pentosidine

Computed Properties

Molecular Weight:378.4
XLogP3:-4.7
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:12
Exact Mass:378.20155333
Monoisotopic Mass:378.20155333
Topological Polar Surface Area:169
Heavy Atom Count:27
Complexity:494
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes