ChemicalBook--->CAS DataBase List--->119-24-4

119-24-4

119-24-4 Structure

119-24-4 Structure
IdentificationBack Directory
[Name]

PTEROIC ACID
[CAS]

119-24-4
[Synonyms]

NSC 14972
PTEROIC ACID
Pyrofolic acid
Pteroic Acid (>
Pteroic acid >=93%
Pteroic Acid (>85%)
Pteroic acid - min95%
Folic acid iMpurity D
Folic Acid Impurity 6
Folic acid EP Impurity D
PTEROIC ACID HYDRATE, 90%
Folic acid impurity D CRS
Pteroic acid(Instant type)
Folic acid iMpurity D Pteroic acid
4-[[(2-Amino-4-oxo-1,4-dihydropteri
4-(((2-amino-4-hydroxypteridin-6-yl)
4-(((2-Amino-4-oxo-3,4-dihydropteridin-6-yl)
Methotrexate EP Impurity D Desmethyl Impurity
Folic Acid Impurity 6(Folic Acid EP Impurity D)
Methotrexate EP Impurity D N-Desmethyl Impurity
p-[(2-AMino-4-hydroxy-6-pteridylMethyl)aMino]benzoic Acid
4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoic acid
p-((2-amino-4-hydroxypteridin-6-yl)methylamino)benzoic acid
4-[(2-azanyl-4-oxo-1H-pteridin-6-yl)methylamino]benzoic acid
4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoic acid
4-{[(2-Amino-4-hydroxypteridin-6-yl)methyl]amino}benzoic acid
4-[[(2-AMino-3,4-dihydro-4-oxo-6-pteridinyl)Methyl]aMino]benzoic Acid
4-(((2-AMino-4-oxo-3,4-dihydropteridin-6-yl)Methyl)aMino)benzoic acid
Benzoic acid, 4-[[(2-aMino-3,4-dihydro-4-oxo-6-pteridinyl)Methyl]aMino]-
NSC 14972 4-[[(2-Amino-3,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoic acid
[EINECS(EC#)]

240-718-3
[Molecular Formula]

C14H12N6O3
[MDL Number]

MFCD00075823
[MOL File]

119-24-4.mol
[Molecular Weight]

312.28
Chemical PropertiesBack Directory
[Melting point ]

>400℃
[Boiling point ]

610.0±65.0 °C(Predicted)
[density ]

1.69
[storage temp. ]

2-8°C
[solubility ]

Aqueous Base (Slightly), DMSO (Slightly)
[form ]

neat
[pka]

4.65±0.10(Predicted)
[color ]

Light Yellow to Brown
[InChI]

InChI=1S/C14H12N6O3/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)23/h1-4,6,16H,5H2,(H,22,23)(H3,15,17,19,20,21)
[InChIKey]

JOAQINSXLLMRCV-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C1=CC=C(NCC2=CN=C3C(=N2)C(=O)NC(N)=N3)C=C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P280-P261-P271
[WGK Germany ]

3
[HS Code ]

2933599590
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

Pteroic Acid is a constituent as well as a degradation product of Folid Acid (F680300) formed via anzymatic hydrolysis. has been shown to activate the glutamylation of methotrexate by folylpolyglutama te synthetase.
[Definition]

ChEBI: 4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}benzoic acid is a pteroic acid. It is functionally related to a 2-aminopteridin-4-ol. It is a conjugate base of a 2-amino-6-{[(4-carboxyphenyl)amino]methyl}-4-hydroxypteridin-1-ium. It is a conjugate acid of a 4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}benzoate. It is a tautomer of a 4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoic acid and a 4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}benzoic acid.
[General Description]

Folic Acid Impurity D is an impurity of the water-soluble B-vitamin, folic acid. Folic Acid is generally used in the treatment of certain types of anemia.
Pharmaceutical secondary standards for application in quality control, provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards.
[Synthesis]

Pteroic acid can be prepared by a variety of conventional methods, said methods including synthesis, microbial degradation of folic acid, enzymatic degradation of folic acid, hydrolysis of folic acid and other conventional methods. Generally, pteroic acid
[Enzyme inhibitor]

This metabolite (FWfree-acid = 312.29 g/mol; CAS 119-24-4), also known as 4-[[(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoic acid, is a structural component of folates. Pteroic acid is a growth factor for a number of Enterococci. Pteroic acid is a yellow powder that is slightly soluble in aqueous NaOH. The lmax values in 0.1 M NaOH are 255, 275, and 365 nm (e = 26300, 23400, and 8900 M–1cm–1, respectively). Target(s): arylamine N-acetyltransferase; dihydrofolate reductase; dihydrofolate synthetase, weakly inhibited; dihydropteroate synthase; glutamate carboxypeptidase; and xanthine oxidase.
[Purification Methods]

Crystallise it from dilute HCl. Dry it in vacuo. Hygroscopic IRRITANT. [Nair et al. J Org Chem 46 3152 1981, Beilstein 26 III/IV 3942.]
Spectrum DetailBack Directory
[Spectrum Detail]

PTEROIC ACID(119-24-4)1HNMR
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