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Screening compounds

Ninopterin

Also known as Bremfol, 9-Methylfolic acid, 9-Methylpteroylglutamic acid

CAS 2179-16-0Formula C20H21N7O6Molar mass 455.43 g/mol
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Ninopterin chemical structure, C20H21N7O6, CAS 2179-16-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2179-16-0
Formula
C20H21N7O6
Molar mass
455.43 g/mol
HS code
293359
Category
Screening compounds

What is Ninopterin?

Plain description, key identifiers and synonyms

Ninopterin is a chemical substance with the molecular formula C20H21N7O6 and a molar mass of 455.43 g/mol. Its CAS registry number is 2179-16-0. The IUPAC name is (2S)-2-[[4-[1-(2-amino-4-oxo-3H-pteridin-6-yl)ethylamino]benzoyl]amino]pentanedioic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S)-2-[[4-[1-(2-amino-4-oxo-3H-pteridin-6-yl)ethylamino]benzoyl]amino]pentanedioic acid
CAS number
2179-16-0
Molecular formula
C20H21N7O6
UNII
6NIB5Y063Y
InChIKey
VNZCGWSZJOIBAK-ACGXKRRESA-N
InChI
InChI=1S/C20H21N7O6/c1-9(13-8-22-16-15(24-13)18(31)27-20(21)26-16)23-11-4-2-10(3-5-11)17(30)25-12(19(32)33)6-7-14(28)29/h2-5,8-9,12,23H,6-7H2,1H3,(H,25,30)(H,28,29)(H,32,33)(H3,21,22,26,27,31)/t9?,12-/m0/s1
Canonical SMILES
CC(Nc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)c1cnc2nc(N)[nH]c(=O)c2n1
Isomeric SMILES
CC(C1=CN=C2C(=N1)C(=O)NC(=N2)N)NC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O

Synonyms

  • Bremfol
  • 9-Methylfolic acid
  • 9-Methylpteroylglutamic acid
  • N-(4-((1-(2-amino-4-hydroxy-6-pteridinyl)ethyl)amino)benzoyl)glutamic acid
  • Glutamic acid, N-(P-((1-(2-amino-4-hydroxy-6-pteridinyl)ethyl)amino)benzoyl)-l-
  • Folic acid, 9-methyl-
  • (2S)-2-[[4-[1-(2-amino-4-oxo-3H-pteridin-6-yl)ethylamino]benzoyl]amino]pentanedioic acid
  • 9-Methyl-pga
  • Glutamic acid, N-(p-((1-(2-amino-4-hydroxy-6-pteridinyl)ethyl)amino)benzoyl)- L-
  • Glutamic acid, 9-methylpteroyl-
  • 9-Me-PGA
  • Methyl folic acid
  • L-Glutamic acid, N-(4-((1-(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)ethyl)amino)benzoyl)-
  • 9-Methyl folic acid
  • 9-Methyl pteroylglutamic acid
  • L-Glutamic acid, N-[4-[[1-(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)ethyl]amino]benzoyl]-
  • 9-Methylpteroylglutamic acid (VAN)
  • 9-methylpteroyl-L-Glutamic acid
  • 4-26-00-03957 (Beilstein Handbook Reference)
  • (2S)-2-[[4-[1-(2-amino-4-hydroxy-pteridin-6-yl)ethylamino]benzoyl]amino]pentanedioic acid
  • (4-((1-(2-Amino-4-oxo-4,8-dihydropteridin-6-yl)ethyl)amino)benzoyl)-L-glutamic acid
  • L-Glutamic acid, N-(4-((1-(2-amino-3,4-dihydro-4-oxo-6-pteridinyl)ethyl)amino)benzoyl)-

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
455.43 g/molcalc.
Exact mass
455.1553 Dacalc.
LogP (octanol/water)
0.52calc.
Topological polar surface area
213.3 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
9calc.
Heavy atoms
33calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.25calc.
Formal charge
0calc.
Stereocentres
2calc.
Lipinski rule of five
Passes (1 violation)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.

Ninopterin suppliers

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Ninopterin price

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Uses and applications

What the substance is used for, by industry and function

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

Frequently asked questions

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

What is Ninopterin?

Ninopterin is a chemical substance with the molecular formula C20H21N7O6 and a molar mass of 455.43 g/mol. Its CAS registry number is 2179-16-0. The IUPAC name is (2S)-2-[[4-[1-(2-amino-4-oxo-3H-pteridin-6-yl)ethylamino]benzoyl]amino]pentanedioic acid.

What is the CAS number of Ninopterin?

The CAS registry number of Ninopterin is 2179-16-0.

What is the molecular formula and weight of Ninopterin?

The molecular formula of Ninopterin is C20H21N7O6 and its molar mass is 455.43 g/mol.

What is Ninopterin used for?

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

Is Ninopterin hazardous?

No GHS hazard classification for Ninopterin 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 Ninopterin?

Ninopterin 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 Ninopterin?

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

What is the price of Ninopterin?

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

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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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