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Impurities and reference standards

Pteropterin

Also known as Teropterin, PTGA, Pteroyl-gamma-glutamyl-gamma-glutamylglutamic acid

CAS 89-38-3Formula C29H33N9O12Molar mass 699.63 g/mol
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Pteropterin chemical structure, C29H33N9O12, CAS 89-38-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
89-38-3
Formula
C29H33N9O12
Molar mass
699.63 g/mol
HS code
293359
Category
Impurities and reference standards

What is Pteropterin?

Plain description, key identifiers and synonyms

Pteropterin is a crystalline conjugate of folic acid, having general properties of a polypeptide. Pteropterin differs from folic acid in that it consists of three molecules of glutamic acid instead of one. Pteropterin can potentially be used as an antimetabolite in the treatment of cancer.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S)-2-[[(4S)-4-[[(4S)-4-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CAS number
89-38-3 CAS number cross-checked
Molecular formula
C29H33N9O12
UNII
0YK15S31J3
InChIKey
WOLQREOUPKZMEX-BZSNNMDCSA-N
InChI
InChI=1S/C29H33N9O12/c30-29-37-23-22(25(44)38-29)33-15(12-32-23)11-31-14-3-1-13(2-4-14)24(43)36-18(28(49)50)6-9-20(40)34-16(26(45)46)5-8-19(39)35-17(27(47)48)7-10-21(41)42/h1-4,12,16-18,31H,5-11H2,(H,34,40)(H,35,39)(H,36,43)(H,41,42)(H,45,46)(H,47,48)(H,49,50)(H3,30,32,37,38,44)/t16-,17-,18-/m0/s1
Canonical SMILES
Nc1nc2ncc(CNc3ccc(C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)cc3)nc2c(=O)[nH]1
Isomeric SMILES
C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N

Synonyms

  • Teropterin
  • PTGA
  • Pteroyl-gamma-glutamyl-gamma-glutamylglutamic acid
  • (2S)-2-[[(4S)-4-[[(4S)-4-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
  • Folic acid diglutamate
  • Pteroyltri-?-L-glutamic acid (>85%)
  • N-(4-{[(2-Amino-4-Oxo-3,4-Dihydropteridin-6-Yl)methyl]amino}benzoyl)-L-Gamma-Glutamyl-L-Gamma-Glutamyl-L-Glutamic Acid
  • Pteroyl-gamma-triglutamic acid
  • Pteroyltri-gamma-L-glutamic acid
  • Pteroyltriglutaminsaure
  • Fermentation l
  • Casei factor
  • Pteroyl triglutamic acid
  • Folic acid impurity 60
  • Pteroyl-L-glutamyl-gamma-L-glutamyl-gamma-L-glutamic acid
  • Fermentation L. casei factor
  • (2S)-2-[[(4S)-4-[[(4S)-4-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
  • Pteroyltri-gamma-L-glutamic acid (>85%)
  • Pteroyldi-gamma-glutamylglutamic acid
  • Pterolyl-gamma-glutamyl-gamma-glutamylglutamic acid
  • Glutamic acid, N-(N-(N-pteroyl-L-gamma-glutamyl)-L-gamma-glutamyl)-, L-
  • N-(N-(N-Pteroyl-gamma-glutamyl)-gamma-glutamyl)glutamic acid
  • ((S)-4-((S)-4-(4-(((2-Amino-4-oxo-4,8-dihydropteridin-6-yl)methyl)amino)benzamido)-4-carboxybutanamido)-4-carboxybutanoyl)-L-glutamic acid
  • L-Glutamic acid, N-(4-(((2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-L-gamma-glutamyl-L-gamma-glutamyl-
  • L-Glutamic acid, N-(N-(N-(4-(((2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-L-gamma-glutamyl)-L-gamma-glutamyl)-
Show all 27 synonyms
  • N-(4-(((2-Amino-3,4-dihydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-l-gamma-glutamyl-l-gamma-glutamyl-l-glutamic acid
  • N-(4-{[(2-Amino-4-oxo-4,8-dihydropteridin-6-yl)methyl]amino}benzoyl)-L-gamma-glutamyl-L-gamma-glutamyl-L-glutamic acid

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
699.63 g/molcalc.
Exact mass
699.2249 Dacalc.
LogP (octanol/water)
-1.35calc.
Topological polar surface area
346.1 Ųcalc.
Hydrogen bond donors
10calc.
Hydrogen bond acceptors
13calc.
Rotatable bonds
19calc.
Heavy atoms
50calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.35calc.
Formal charge
0calc.
Stereocentres
3calc.
Lipinski rule of five
Fails (3 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]cnc2ncc(CNc3ccccc3)nc12

O=c1[nH]cnc2ncc(CNc3ccccc3)nc12

3 rings, 19 atoms.

106 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.

Pteropterin suppliers

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Pteropterin 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 Pteropterin 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 Pteropterin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Pteropterin?

Pteropterin is a crystalline conjugate of folic acid, having general properties of a polypeptide. Pteropterin differs from folic acid in that it consists of three molecules of glutamic acid instead of one. Pteropterin can potentially be used as an antimetabolite in the treatment of cancer.

What is the CAS number of Pteropterin?

The CAS registry number of Pteropterin is 89-38-3.

What is the molecular formula and weight of Pteropterin?

The molecular formula of Pteropterin is C29H33N9O12 and its molar mass is 699.63 g/mol.

Is Pteropterin hazardous?

No GHS hazard classification for Pteropterin 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 Pteropterin?

Pteropterin 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 Pteropterin?

Post a free request on CompoundList and suppliers of Pteropterin will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Pteropterin?

Suppliers quote Pteropterin 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 Pteropterin

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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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