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Pteridines and derivatives

Description:

Polycyclic aromatic compounds containing a pteridine moiety, which consists of a pyrimidine fused to a pyrazine ring to form pyrimido(4,5-b)pyrazine.
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  1. Alloxazine
    Cas Number: 490-59-5        EC Number: 207-714-3
    Formula:  C10H6N4O2        Molecular Weight: 214.18
    IUPAC Name:  1H-benzo[g]pteridine-2,4-dione
    SMILES:  C1=CC=C2C(=C1)N=C3C(=N2)NC(=O)NC3=O
    InChIKey: HAUGRYOERYOXHX-UHFFFAOYSA-N
    InChI:  InChI=1S/C10H6N4O2/c15-9-7-8(13-10(16)14-9)12-6-4-2-1-3-5(6)11-7/h1-4H,(H2,12,13,14,15,16)
    Synonyms: Alloxazine|490-59-5|Isoalloxazine|Alloxazin|benzo[g]pteridine-2,4(1H,3H)-dione|1H-Benzo[g]pteridine-2,4-dione|Benzo(g...
  2. 6-Biopterin
      Grade & Purity: 
    • 2mM in DMSO
    Cas Number: 22150-76-1        EC Number: 244-807-8
    Formula:  C9H11N5O3        Molecular Weight: 237.22
    IUPAC Name:  2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-3H-pteridin-4-one
    SMILES:  CC(C(C1=CN=C2C(=N1)C(=O)NC(=N2)N)O)O
    InChIKey: LHQIJBMDNUYRAM-DZSWIPIPSA-N
    InChI:  InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h2-3,6,15-16H,1H3,(H3,10,11,13,14,17)/t3-,6-/m0/s1
    Synonyms: 2-amino-6-((1R,2S)-1,2-dihydroxypropyl)pteridin-4(1H)-one | DB05974 | AI3-24649 | (S-(R*,S*))-2-Amino-6-(1,2-dihydrox...
  3. Methotrexate disodium salt
      Grade & Purity: 
    • ≥98%
    Cas Number: 7413-34-5        EC Number: 231-022-0
    Formula:  C20H20N8Na2O5        Molecular Weight: 498.4
    IUPAC Name:  disodium;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate
    SMILES:  CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)[O-].[Na+].[Na+]
    InChIKey: DASQOOZCTWOQPA-GXKRWWSZSA-L
    InChI:  InChI=1S/C20H22N8O5.2Na/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30;;/h2-5,8,13H,6-7,9H2,1H3,(show more
    Synonyms: Methotrexate, Sodium Salt | DTXCID1017123 | MS-20174 | Disodium methotrexate | DS-3425 | 3,6-Endomethylenephthalic an...
  4. Xanthopterin
      Grade & Purity: 
    • ≥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...
  5. Levomefolic Acid
      Grade & Purity: 
    • ≥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...
  6. 2,4-Diamino-6-(hydroxymethyl)pteridine hydrochloride
      Grade & Purity: 
    • ≥95%
    Cas Number: 73978-41-3
    Formula:  C7H8N6O ·HCl        Molecular Weight: 228.64
    IUPAC Name:  (2,4-diaminopteridin-6-yl)methanol;hydrochloride
    SMILES:  C1=C(N=C2C(=NC(=NC2=N1)N)N)CO.Cl
    InChIKey: XZHMPUJCSYVIQL-UHFFFAOYSA-N
    InChI:  InChI=1S/C7H8N6O.ClH/c8-5-4-6(13-7(9)12-5)10-1-3(2-14)11-4;/h1,14H,2H2,(H4,8,9,10,12,13);1H
    Synonyms: (2,4-Diaminopteridin-6-yl)methanolhydrochloridehydrate | BCP09302 | MFCD00191246 | SY063959 | 2,4-Diamino-6-(hydroxym...
  7. 2,4-Diamino-6,7-diisopropylpteridine Phosphate
      Grade & Purity: 
    • ≥95%
    Cas Number: 84176-65-8
    Formula:  C12H21N6O4P        Molecular Weight: 344.31
    IUPAC Name:  6,7-di(propan-2-yl)pteridine-2,4-diamine;phosphoric acid
    SMILES:  CC(C)C1=NC2=C(N=C(N=C2N=C1C(C)C)N)N.OP(=O)(O)O
    InChIKey: YNQBQYASRYRNRY-UHFFFAOYSA-N
    InChI:  InChI=1S/C12H18N6.H3O4P/c1-5(2)7-8(6(3)4)16-11-9(15-7)10(13)17-12(14)18-11;1-5(2,3)4/h5-6H,1-4H3,(H4,13,14,16,17,18);(H3,1,2,3,4)
    Synonyms: 2,4-DIAMINO-6,7-DIISOPROPYLPTERIDINEPHOSPHATESALT | 3Y998EB9RG | 2,4-Diamino-6,7-diisopropylpteridine phosphate salt,...
  8. isoxanthopterin
      Grade & Purity: 
    • ≥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...
  9. Folic acid dihydrate
      Grade & Purity: 
    • ≥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...
  10. 10-Formyl-7,8-dihydro Folic Acid Calcium Salt
      Grade & Purity: 
    • ≥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-...
  11. Ro 08-2750
      Grade & Purity: 
    • ≥95%(HPLC)
    Cas Number: 37854-59-4        Compound CID:  17756791
    Formula:  C13H10N4O3        Molecular Weight: 270.24
    IUPAC Name:  7,10-dimethyl-2,4-dioxobenzo[g]pteridine-8-carbaldehyde
    SMILES:  CC1=CC2=C(C=C1C=O)N(C3=NC(=O)NC(=O)C3=N2)C
    InChIKey: JDEMVNYMYPJJIM-UHFFFAOYSA-N
    InChI:  InChI=1S/C13H10N4O3/c1-6-3-8-9(4-7(6)5-18)17(2)11-10(14-8)12(19)16-13(20)15-11/h3-5H,1-2H3,(H,16,19,20)
    Synonyms: SCHEMBL15683182 | HMS3677A14 | 7,10-dimethyl-2,4-dioxo-2,3,4,10-tetrahydrobenzo[g]pteridine-8-carbaldehyde | NCGC0015...
  12. Triamterene
    Cas Number: 396-01-0        Compound CID:  5546
    Formula:  C12H11N7        Molecular Weight: 253.26
    IUPAC Name:  6-phenylpteridine-2,4,7-triamine
    SMILES:  C1=CC=C(C=C1)C2=NC3=C(N=C(N=C3N=C2N)N)N
    InChIKey: FNYLWPVRPXGIIP-UHFFFAOYSA-N
    InChI:  InChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19)
    Synonyms: Ademin | Hydrene | Reviten | TRIAMTERENE [EP MONOGRAPH] | Diarol | EINECS 206-904-3 | Pteridine deriv. 11 | WS821Z52L...
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