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Heterocyclic building blocks

Neopterin

Also known as D-Neopterin, D-erythro-Neopterin, 6-D-erythro-Neopterin

CAS 2009-64-5Formula C9H11N5O4Molar mass 253.22 g/molEC 217-924-7
GHS signal word: Warning. Pictograms: Harmful or irritant 45 suppliers listed
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Neopterin chemical structure, C9H11N5O4, CAS 2009-64-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2009-64-5
Formula
C9H11N5O4
Molar mass
253.22 g/mol
EC number
217-924-7
HS code
293359
Category
Heterocyclic building blocks

What is Neopterin?

Plain description, key identifiers and synonyms

D-erythro-neopterin is a neopterin that has 1S,2R-configuration.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]-3H-pteridin-4-one
CAS number
2009-64-5 CAS number cross-checkedOther or deprecated CAS: 670-65-5
EC number
217-924-7
Molecular formula
C9H11N5O4
UNII
9PLD60N7SO
MDL number
MFCD00042801, MFCD00075457
InChIKey
BMQYVXCPAOLZOK-XINAWCOVSA-N
InChI
InChI=1S/C9H11N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h1,4,6,15-17H,2H2,(H3,10,11,13,14,18)/t4-,6+/m1/s1
Canonical SMILES
Nc1nc2ncc(C(O)C(O)CO)nc2c(=O)[nH]1
Isomeric SMILES
C1=C(N=C2C(=O)NC(=NC2=N1)N)[C@@H]([C@@H](CO)O)O

Synonyms

  • D-Neopterin
  • D-erythro-Neopterin
  • 6-D-erythro-Neopterin
  • 6-(D-erythro-1,2,3-Trihydroxypropyl)pterin
  • 2-amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]-1H-pteridin-4-one
  • 2-Amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]-3H-pteridin-4-one
  • [S-(R*,S*)]-2-Amino-6-(1,2,3-trihydroxypropyl)-1H-pteridin-4-on
  • 2-amino-6-((1S,2R)-1,2,3-trihydroxypropyl)-1H-pteridin-4-one
  • 2-amino-6-((1S,2R)-1,2,3-trihydroxypropyl)-3H-pteridin-4-one
  • (S-(R*,S*))-2-Amino-6-(1,2,3-trihydroxypropyl)-1H-pteridin-4-on
  • (S-(R*,S*))-2-amino-6-(1,2,3-trihydroxypropyl)-1H-pteridine-4-one
  • [S-(R*,S*)]-2-amino-6-(1,2,3-trihydroxypropyl)-1H-pteridine-4-one
  • Neopterin D-erythro-
  • 2-Amino-6-(1,2,3-trihydroxypropyl)-4(3H)-pteridinone
  • 4(1H)-Pteridinone, 2-amino-6-(1,2,3-trihydroxypropyl)-
  • 2-amino-6-(1,2,3-trihydroxypropyl)-3,4-dihydropteridin-4-one
  • D-(+)-Neopterin
  • 2-Amino-6-((1S,2R)-1,2,3-trihydroxypropyl)pteridin-4(3H)-one
  • 2-Amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]-4(3H)-pteridinone
  • 2-amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]pteridin-4(3H)-one
  • 2-amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]-3,4-dihydropteridin-4-one
  • 2-Amino-6-((1S,2R)-1,2,3-trihydroxypropyl)-4(8H)-pteridone
  • [S-(R*,S*)]-2-amino-6-(1,2,3-trihydroxypropyl)-1H-pteridin-4-one
  • 4(8H)-pteridinone, 2-amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]-
  • Neopterin D-erythro-form
Show all 35 synonyms
  • 4(3H)-Pteridinone, 2-amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]-
  • (S-(R*,S*))-2-Amino-6-(1,2,3-trihydroxypropyl)-1H-pteridin-4-one
  • 4(3H)-pteridinone, 2-amino-6-((1S,2R)-1,2,3-trihydroxypropyl)-
  • 1,2,3-Proanetriol
  • 6-(D-erythro-1,2,3-T
  • 2-Amino-4-hydroxy-6-(1,2,3-trihydroxypropyl)pteridine
  • (1S,2R)-1-(2-amino-4-hydroxypteridin-6-yl)propane-1,2,3-triol
  • Sapropterin Impurity 22 (D-Neopterin)
  • (D-erythro-1,2,3-trihydroxypropyl)-pterin
  • D-(+)-Neopterin, >=97.5% (sum of enantiomers, HPLC)

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
253.22 g/molcalc.
Exact mass
253.0811 Dacalc.
LogP (octanol/water)
-2.32calc.
Topological polar surface area
158.2 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
3calc.
Heavy atoms
18calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.33calc.
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, O=c1[nH]cnc2nccnc12

O=c1[nH]cnc2nccnc12

2 rings, 11 atoms, the Pteridin-4-ol ring system.

133 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
Precautionary statements (16)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

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

Full safety data and first aid

Neopterin suppliers

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Where suppliers are based

45 suppliers in 11 countries

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Neopterin price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Pharmacology

Neopterin is a pteridine that is a metabolite of guanine triphosphate (GTP) and a precursor for biopterin. Neopterin is released from interferon-gamma (IFNg) stimulated macrophages and dendritic cells (DCs), therefore, urine or serum levels may be used as a marker of immune system activation.

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 Neopterin is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Neopterin?

D-erythro-neopterin is a neopterin that has 1S,2R-configuration.

What is the CAS number of Neopterin?

The CAS registry number of Neopterin is 2009-64-5. Other or deprecated CAS numbers: 670-65-5.

What is the molecular formula and weight of Neopterin?

The molecular formula of Neopterin is C9H11N5O4 and its molar mass is 253.22 g/mol.

What is Neopterin used for?

Known uses and roles of Neopterin include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Neopterin hazardous?

Neopterin carries the GHS signal word "Warning". Main hazards: causes skin irritation, causes serious eye irritation, may cause respiratory irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Neopterin?

Neopterin is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Neopterin?

CompoundList lists 45 suppliers of Neopterin in United States, China, Spain, United Kingdom and 7 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Neopterin?

Suppliers quote Neopterin 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 Neopterin

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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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