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Synthesis reagents

Pentosidine

Also known as 6-(2-{[(4S)-4-amino-4-carboxybutyl]amino}-4H-imidazo[4,5-b]pyridin-4-yl)-L-norleucine, (2S)-2-amino-6-(2-{[(4S)-4-amino-4-carboxybutyl]amino}-4H-imidazo[4,5-b]pyridin-4-yl)hexanoic acid, 4H-Imidazo(4,5-b)pyridine-4-hexanoic acid, alpha-amino-2-((4-amino-4-carboxybutyl)amino)-, (S-(R*,R*))-

CAS 124505-87-9Formula C17H26N6O4Molar mass 378.43 g/mol
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Pentosidine chemical structure, C17H26N6O4, CAS 124505-87-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
124505-87-9
Formula
C17H26N6O4
Molar mass
378.43 g/mol
HS code
293399
Category
Synthesis reagents

What is Pentosidine?

Plain description, key identifiers and synonyms

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.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S)-2-amino-6-[2-[[(4S)-4-amino-4-carboxybutyl]amino]imidazo[4,5-b]pyridin-4-yl]hexanoic acid
CAS number
124505-87-9 CAS number cross-checked
Molecular formula
C17H26N6O4
UNII
BJ4I2X2CQJ
MDL number
MFCD11111968
InChIKey
AYEKKSTZQYEZPU-RYUDHWBXSA-N
InChI
InChI=1S/C17H26N6O4/c18-11(15(24)25)5-1-2-9-23-10-4-7-13-14(23)22-17(21-13)20-8-3-6-12(19)16(26)27/h4,7,10-12H,1-3,5-6,8-9,18-19H2,(H,20,21)(H,24,25)(H,26,27)/t11-,12-/m0/s1
Canonical SMILES
NC(CCCCn1cccc2nc(NCCCC(N)C(=O)O)nc1-2)C(=O)O
Isomeric SMILES
C1=CN(C2=NC(=NC2=C1)NCCC[C@@H](C(=O)O)N)CCCC[C@@H](C(=O)O)N

Synonyms

  • 6-(2-{[(4S)-4-amino-4-carboxybutyl]amino}-4H-imidazo[4,5-b]pyridin-4-yl)-L-norleucine
  • (2S)-2-amino-6-(2-{[(4S)-4-amino-4-carboxybutyl]amino}-4H-imidazo[4,5-b]pyridin-4-yl)hexanoic acid
  • 4H-Imidazo(4,5-b)pyridine-4-hexanoic acid, alpha-amino-2-((4-amino-4-carboxybutyl)amino)-, (S-(R*,R*))-
  • 6-(2-(((4S)-4-Amino-4-carboxybutyl)amino)-4H-imidazo(4,5-b)pyridin-4-yl)-L-norleucine
  • (2S)-2-amino-6-(2-(((4S)-4-amino-4-carboxybutyl)amino)-4H-imidazo(4,5-b)pyridin-4-yl)hexanoic acid
  • (2S)-2-amino-6-[2-[[(4S)-4-amino-4-carboxybutyl]amino]imidazo[4,5-b]pyridin-4-yl]hexanoic acid
  • (S)-2-Amino-6-(2-(((S)-4-amino-4-carboxybutyl)amino)-4H-imidazo[4,5-b]pyridin-4-yl)hexanoic acid
  • 4H-Imidazo(4,5-b)pyridine-4-hexanoic acid, alpha-amino-2-(((4S)-4-amino-4-carboxybutyl)amino)-, (alphaS)-
  • 4H-Imidazo[4,5-b]pyridine-4-hexanoic acid, alpha-amino-2-[[(4S)-4-amino-4-carboxybutyl]amino]-, (alphaS)-
  • (2S)-2-amino-6-[2-[[(4S)-4-amino-5-hydroxy-5-oxopentyl]amino]imidazo[4,5-b]pyridin-4-yl]hexanoic acid
  • (2S)-2-Amino-6-(2-(((4S)- 4-amino-5-hydroxy-5-oxopentyl))-4-imidazo (4,5-b)pyridinyl)hexanoic acid
  • (2S)-2-amino-6-[2-[[(4S)-4-amino-4-carboxy-butyl]amino]imidazo[4,5-b]pyridin-4-yl]hexanoic acid
  • (S)-2-Amino-6-(2-(((S)-4-amino-4-carboxybutyl)amino)-4H-imidazo[4,5-b]pyridin-4-yl)hexanoicacid
  • 2-(((S)-4-Amino-4-carboxybutyl)amino)-4-((S)-5-amino-5-carboxypentyl)-1H-imidaZo[4,5-b]pyridin-4-ium TFA (Pentosidine)

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
378.43 g/molcalc.
Exact mass
378.2016 Dacalc.
LogP (octanol/water)
0.57calc.
Topological polar surface area
169.4 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
12calc.
Heavy atoms
27calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.53calc.
Formal charge
0calc.
Stereocentres
2calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1cnc2[nH]cnc2c1

c1cnc2[nH]cnc2c1

2 rings, 9 atoms, the Imidazo(4,5-b)pyridine ring system.

929 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Pentosidine suppliers

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Where suppliers are based

1 supplier in 1 country

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Pentosidine price

Indicative price range per kg from live supplier offers

No published prices right now

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Uses and applications

What the substance is used for, by industry and function

Pharmacological actions

  • Cross-Linking Reagents

Roles

  • biomarker
  • cross-linking reagent
  • indicator
  • reagent

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Pentosidine is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Pentosidine is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Pentosidine, based on the data on this page

What is Pentosidine?

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.

What is the CAS number of Pentosidine?

The CAS registry number of Pentosidine is 124505-87-9.

What is the molecular formula and weight of Pentosidine?

The molecular formula of Pentosidine is C17H26N6O4 and its molar mass is 378.43 g/mol.

What is Pentosidine used for?

Known uses and roles of Pentosidine include synthesis reagents in research and laboratory, biomarker, cross-linking reagent, indicator, reagent and 1 more.

Is Pentosidine hazardous?

No GHS hazard classification for Pentosidine is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Pentosidine?

Pentosidine is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Pentosidine?

CompoundList lists 1 supplier of Pentosidine in Japan. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Pentosidine?

Suppliers quote Pentosidine on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Pentosidine

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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