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Screening compounds

Denopterin

Also known as Dimetfol, N10,9-Dimethylfolic acid, 9,10-Dimethylpteroylglutamic acid

CAS 22006-84-4Formula C21H23N7O6Molar mass 469.46 g/mol
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Denopterin chemical structure, C21H23N7O6, CAS 22006-84-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
22006-84-4
Formula
C21H23N7O6
Molar mass
469.46 g/mol
HS code
293359
Category
Screening compounds

What is Denopterin?

Plain description, key identifiers and synonyms

Denopterin is a folate analog that interferes with RNA, DNA, and protein synthesis. (NCI)

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S)-2-[[4-[1-(2-amino-4-oxo-3H-pteridin-6-yl)ethyl-methylamino]benzoyl]amino]pentanedioic acid
CAS number
22006-84-4 CAS number cross-checked
Molecular formula
C21H23N7O6
UNII
C0T7I910W0
InChIKey
FLWWDYNPWOSLEO-HQVZTVAUSA-N
InChI
InChI=1S/C21H23N7O6/c1-10(14-9-23-17-16(24-14)19(32)27-21(22)26-17)28(2)12-5-3-11(4-6-12)18(31)25-13(20(33)34)7-8-15(29)30/h3-6,9-10,13H,7-8H2,1-2H3,(H,25,31)(H,29,30)(H,33,34)(H3,22,23,26,27,32)/t10?,13-/m0/s1
Canonical SMILES
CC(c1cnc2nc(N)[nH]c(=O)c2n1)N(C)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1
Isomeric SMILES
CC(C1=CN=C2C(=N1)C(=O)NC(=N2)N)N(C)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O

Synonyms

  • Dimetfol
  • N10,9-Dimethylfolic acid
  • 9,10-Dimethylpteroylglutamic acid
  • L-Glutamic acid, N-(4-((1-(2-amino-3,4-dihydro-4-oxo-6-pteridinyl)ethyl)methylamino)benzoyl)-
  • N-(4-((1-(2-Amino-3,4-dihydro-4-oxo-6-pteridinyl)ethyl)methylamino)benzoyl)-L-glutamic acid
  • (2S)-2-[[4-[1-(2-amino-4-oxo-3H-pteridin-6-yl)ethyl-methylamino]benzoyl]amino]pentanedioic acid
  • N-[4-[[1-(2-Amino-4-hydroxy-6-pteridinyl)ethyl]methylamino]benzoyl]-L-glutamic acid
  • (4-((1-(2-Amino-4-oxo-4,8-dihydropteridin-6-yl)ethyl)(methyl)amino)benzoyl)-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
469.46 g/molcalc.
Exact mass
469.171 Dacalc.
LogP (octanol/water)
0.54calc.
Topological polar surface area
204.5 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
9calc.
Heavy atoms
34calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.29calc.
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]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.

Denopterin suppliers

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Denopterin 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

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

Frequently asked questions

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

What is Denopterin?

Denopterin is a folate analog that interferes with RNA, DNA, and protein synthesis. (NCI)

What is the CAS number of Denopterin?

The CAS registry number of Denopterin is 22006-84-4.

What is the molecular formula and weight of Denopterin?

The molecular formula of Denopterin is C21H23N7O6 and its molar mass is 469.46 g/mol.

What is Denopterin used for?

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

Is Denopterin hazardous?

No GHS hazard classification for Denopterin 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 Denopterin?

Denopterin 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 Denopterin?

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

What is the price of Denopterin?

Suppliers quote Denopterin 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 Denopterin

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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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