Pterins and derivatives

Description:

Polycyclic aromatic compounds containing a pterin moiety, which consist of a pteridine ring bearing a ketone and an amine group to form 2-aminopteridin-4(3H)-one.

Ancestors:

Organic compounds ⮕ Organoheterocyclic compounds ⮕ Pteridines and derivatives ⮕ Pterins and derivatives

Xanthopterin
- ≥95%
Cas Number: 119-44-8

Formula: C₆H₅N₅O₂ Molecular Weight: 179.14

IUPAC Name: 2-amino-3,5-dihydropteridine-4,6-dione

SMILES: C1=NC2=C(C(=O)NC(=N2)N)NC1=O

InChIKey: VURKRJGMSKJIQX-UHFFFAOYSA-N

InChI: InChI=1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)9-2(12)1-8-4/h1H,(H,9,12)(H3,7,8,10,11,13)

Synonyms: XANTHOPTERIN|119-44-8|Ksantopterin|2-amino-3,5-dihydropteridine-4,6-dione|2-Amino-4,6-pteridinediol|2-Amino-4,6-dihyd...
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Levomefolic Acid
- ≥98%
Cas Number: 31690-09-2

Formula: C₂₀H₂₅N₇O₆ Molecular Weight: 459.47

IUPAC Name: (2S)-2-[[4-[[(6S)-2-amino-5-methyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid

SMILES: CN1C(CNC2=C1C(=O)NC(=N2)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

InChIKey: ZNOVTXRBGFNYRX-STQMWFEESA-N

InChI: InChI=1S/C20H25N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,12-13,22H,6-9H2,1H3,(H,24show more

Synonyms: HY-14781 | Levomefolinic acid [USAN] | NCGC00258123-01 | L0335 | L-Glutamic acid, N-[4-[[(2-amino-3,4,5,6,7,8-hexahyd...
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isoxanthopterin
- ≥95%
Cas Number: 529-69-1 EC Number: 208-469-5

Formula: C₆H₅N₅O₂ Molecular Weight: 179.14

IUPAC Name: 2-amino-3,8-dihydropteridine-4,7-dione

SMILES: C1=NC2=C(NC1=O)N=C(NC2=O)N

InChIKey: GLKCOBIIZKYKFN-UHFFFAOYSA-N

InChI: InChI=1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)8-1-2(12)9-4/h1H,(H4,7,9,10,11,12,13)

Synonyms: E73764 | NCGC00015564-04 | NCGC00015564-02 | AKOS027320489 | NCGC00015564-03 | HMS3262O05 | 2-Amino-4,7(3H,8H)-pterid...
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Folic acid dihydrate
- ≥98%
Cas Number: 75708-92-8

Formula: C₁₉H₁₉N₇O₆•2H₂O Molecular Weight: 477.44

IUPAC Name: (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid;dihydrate

SMILES: C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N.O.O

InChIKey: ODYNNYOEHBJUQP-LTCKWSDVSA-N

InChI: InChI=1S/C19H19N7O6.2H2O/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28;;/h1-4,8,12,21H,5-7H2,(H,24,show more

Synonyms: DTXSID20273931 | MFCD00150769 | (2S)-2-[(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}phenyl)formamido]pe...
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10-Formyl-7,8-dihydro Folic Acid Calcium Salt
- ≥85%
Cas Number: 28459-40-7 free acid

Formula: C₂₀H₂₁N₇O₇(free) Molecular Weight: 471.42(free)

IUPAC Name: (2S)-2-[[4-[(2-amino-4-oxo-7,8-dihydro-3H-pteridin-6-yl)methyl-formylamino]benzoyl]amino]pentanedioic acid

SMILES: C1C(=NC2=C(N1)N=C(NC2=O)N)CN(C=O)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

InChIKey: UXFQDXABPXWSTK-ZDUSSCGKSA-N

InChI: InChI=1S/C20H21N7O7/c21-20-25-16-15(18(32)26-20)23-11(7-22-16)8-27(9-28)12-3-1-10(2-4-12)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,13H,5-8H2,(H,24,31)(show more

Synonyms: 10-Formyldihydrofolate|10-formyldihydrofolic acid|28459-40-7|C3XPF4ILH4|10-formyl-7,8-dihydrofolate|N-(10-formyl-7,8-...
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Tetrahydrobiopterin
- ≥98%
Cas Number: 17528-72-2 Compound CID: 135402045

Formula: C₉H₁₅N₅O₃ Molecular Weight: 241.25

IUPAC Name: 2-amino-6-(1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one

SMILES: CC(C(C1CNC2=C(N1)C(=O)NC(=N2)N)O)O

InChIKey: FNKQXYHWGSIFBK-UHFFFAOYSA-N

InChI: InChI=1S/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17)

Synonyms: tetrahydrobiopterin | HY-107383 | 1-(2-amino-4-hydroxy-5,6,7,8-tetrahydropteridin-6-yl)propane-1,2-diol | 5-26-18-004...
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5-Methyltetrahydrofolic acid disodium salt
- ≥88%
Cas Number: 68792-52-9

Formula: C₂₀H₂₃N₇Na₂O₆ Molecular Weight: 503.42

IUPAC Name: disodium;2-[[4-[(2-amino-5-methyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioate

SMILES: CN1C(CNC2=C1C(=O)NC(=N2)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)[O-].[Na+].[Na+]

InChIKey: KKIWVYLOTHCGRV-UHFFFAOYSA-L

InChI: InChI=1S/C20H25N7O6.2Na/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29;;/h2-5,12-13,22H,6-9H2,1H3show more

Synonyms: AKOS024307517 | FT-0733458 | Tox21_112677 | DTXCID2026814 | NCGC00181027-01 | 5-Methyltetrahydrofolic acid disodium s...
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Pteroic Acid
- ≥93%
Cas Number: 119-24-4 Compound CID: 135398749

Formula: C₁₄H₁₂N₆O₃ Molecular Weight: 312.28

IUPAC Name: 4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoic acid

SMILES: C1=CC(=CC=C1C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N

InChIKey: JOAQINSXLLMRCV-UHFFFAOYSA-N

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)

Synonyms: MFCD00075823 | 22d | Agmatine sulfate salt, >=97%, powder | SR-01000883746 | 8258W48TBZ | FT-0674151 | DTXSID40152279...
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Folinic acid calcium salt hydrate
- ≥98%
Cas Number: 1492-18-8

Formula: C₂₀H₂₁CaN₇O₇ · xH₂O Molecular Weight: 511.50 (anhydrous basis)

IUPAC Name: calcium;(2S)-2-[[4-[(2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioate

SMILES: [Ca++].[H]O[H].[H]C(=O)N1C(CNc2ccc(cc2)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)CNc3nc(N)nc(O)c13

InChIKey: KVUAALJSMIVURS-ZEDZUCNESA-L

InChI: InChI=1S/C20H23N7O7.Ca/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30;/h1-4,9,12-13,22H,5-8H2,show more

Synonyms: AMPHOTERICIN B (USP-RS) | Calcii folinas | BUDESONIDE COMPONENT OF BREZTRI | Calcifolin | Folinac | Leucovorin calciu...
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6，7-Dimethyl-5，6，7，8-tetrahydropterine hydrochloride
- ≥95%
Cas Number: 945-43-7

Formula: C₈H₁₃N₅O· HCl Molecular Weight: 231.68

IUPAC Name: 2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride

SMILES: CC1C(NC2=C(N1)C(=O)NC(=N2)N)C.Cl

InChIKey: GIHYTRGUZVYCQX-UHFFFAOYSA-N

InChI: InChI=1S/C8H13N5O.ClH/c1-3-4(2)11-6-5(10-3)7(14)13-8(9)12-6;/h3-4,10H,1-2H3,(H4,9,11,12,13,14);1H

Synonyms: 2-amino-6,7-dimethyl-3,4,5,6,7,8-hexahydropteridin-4-one hydrochloride | AS-73417 | DMPH4 | 2-amino-6,7-dimethyl-5,6,...
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Xanthopterin Hydrate
- ≥98%
Cas Number: 5979-01-1 Compound CID: 135465063

Formula: C₆H₅N₅O₂·xH₂O Molecular Weight: 179.14(anhy)

IUPAC Name: 2-amino-3,5-dihydropteridine-4,6-dione;hydrate

SMILES: C1=NC2=C(C(=O)NC(=N2)N)NC1=O.O

InChIKey: GXYCFNCAIXIUMR-UHFFFAOYSA-N

InChI: InChI=1S/C6H5N5O2.H2O/c7-6-10-4-3(5(13)11-6)9-2(12)1-8-4;/h1H,(H,9,12)(H3,7,8,10,11,13);1H2

Synonyms: AKOS024318883 | 2-Aminopteridine-4,6(3H,5H)-dione hydrate | CS-0091064 | s5677 | 2-aminopteridine-4,6(1H,5H)-dione hy...
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D-Neopterin
- ≥98%(HPLC)
- sum of enantiomers
Cas Number: 2009-64-5 EC Number: 217-924-7

Formula: C₉H₁₁N₅O₄ Molecular Weight: 253.21

IUPAC Name: 2-amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]-3H-pteridin-4-one

SMILES: C1=C(N=C2C(=O)NC(=NC2=N1)N)C(C(CO)O)O

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

Synonyms: 4(8H)-pteridinone, 2-amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]- | [S-(R*,S*)]-2-Amino-6-(1,2,3-trihydroxypropyl)-1H-pt...
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