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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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Items 1-12 of 88

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  1. 5-Methyltetrahydrofolic acid disodium salt
      Grade & Purity: 
    • ≥98%
    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: 5-Methyltetrahydrofolic acid disodium salt is also known as 5-Methyl-THF.
  2. 7-hydroxy Methotrexate
      Grade & Purity: 
    • ≥98%
    Cas Number: 5939-37-7        Compound CID:  5385077
    Formula:  C₂₀H₂₂N₈O₆・3Na        Molecular Weight: 539.4
    IUPAC Name:  2-[[4-[(2,4-diamino-7-oxo-8H-pteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
    SMILES:  CN(CC1=NC2=C(N=C(N=C2NC1=O)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O
    InChIKey: HODZDDDNGRLGSI-UHFFFAOYSA-N
    InChI:  InChI=1S/C20H22N8O6/c1-28(8-12-18(32)26-16-14(23-12)15(21)25-20(22)27-16)10-4-2-9(3-5-10)17(31)24-11(19(33)34)6-7-13(29)30/h2-5,11H,6-8H2,1H3,(H,24,31show more
  3. Roseoflavin
    Cas Number: 51093-55-1        Compound CID:  170973
    Formula:  C18H23N5O6        Molecular Weight: 405.41
    IUPAC Name:  8-(dimethylamino)-7-methyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dione
    SMILES:  CC1=CC2=C(C=C1N(C)C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O
    InChIKey: IGQLDUYTWDABFK-UHFFFAOYSA-N
    InChI:  InChI=1S/C18H23N5O6/c1-8-4-9-11(5-10(8)22(2)3)23(6-12(25)15(27)13(26)7-24)16-14(19-9)17(28)21-18(29)20-16/h4-5,12-13,15,24-27H,6-7H2,1-3H3,(H,21,28,29show more
  4. 6-(chloromethyl)pteridine-2,4-diamine monohydrochloride
      Grade & Purity: 
    • ≥94%
    Cas Number: 82778-08-3
    Formula:  C7H8Cl2N6        Molecular Weight: 247.0846
    SMILES:  C1=C(N=C2C(=NC(=NC2=N1)N)N)CCl.Cl
    InChIKey: SDZKFWPFFHILFI-UHFFFAOYSA-N
    InChI:  InChI=1S/C7H7ClN6.ClH/c8-1-3-2-11-6-4(12-3)5(9)13-7(10)14-6;/h2H,1H2,(H4,9,10,11,13,14);1H
  5. Folinic acid calcium salt hydrate
    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
  6. Folinic acid calcium salt hydrate
    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
  7. Aminopterin
    Cas Number: 54-62-6        EC Number: 200-209-9
    Formula:  C19H20N8O5·xH2O        Molecular Weight: 440.41(as Anhydrous)
    IUPAC Name:  (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
    SMILES:  Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2n1
    InChIKey: TVZGACDUOSZQKY-LBPRGKRZSA-N
    InChI:  InChI=1S/C19H20N8O5/c20-15-14-16(27-19(21)26-15)23-8-11(24-14)7-22-10-3-1-9(2-4-10)17(30)25-12(18(31)32)5-6-13(28)29/h1-4,8,12,22H,5-7H2,(H,25,30)(H,2show more
  8. 2,4-Dichloropteridine
      Grade & Purity: 
    • ≥95%
    Cas Number: 98138-05-7        Compound CID:  45789707
    Formula:  C6H2Cl2N4        Molecular Weight: 201.02
    IUPAC Name:  2,4-dichloropteridine
    SMILES:  C1=CN=C2C(=N1)C(=NC(=N2)Cl)Cl
    InChIKey: WVSQXWZADZZUSV-UHFFFAOYSA-N
    InChI:  InChI=1S/C6H2Cl2N4/c7-4-3-5(10-2-1-9-3)12-6(8)11-4/h1-2H
  9. (R)-2-Chloro-7-ethyl-8-isopropyl-7,8-dihydropteridin-6(5H)-one
      Grade & Purity: 
    • ≥95%
    Cas Number: 889877-77-4        Compound CID:  11572412
    Formula:  C11H15ClN4O        Molecular Weight: 254.71
    IUPAC Name:  (7R)-2-chloro-7-ethyl-8-propan-2-yl-5,7-dihydropteridin-6-one
    SMILES:  CCC1C(=O)NC2=CN=C(N=C2N1C(C)C)Cl
    InChIKey: HZKCDOWKVNPXCW-MRVPVSSYSA-N
    InChI:  InChI=1S/C11H15ClN4O/c1-4-8-10(17)14-7-5-13-11(12)15-9(7)16(8)6(2)3/h5-6,8H,4H2,1-3H3,(H,14,17)/t8-/m1/s1
  10. 4-(1-(2,4-Diaminopteridin-6-yl)pent-4-yn-2-yl)benzoicacid
      Grade & Purity: 
    • ≥97%
    Cas Number: 146464-93-9        Compound CID:  11002545
    Formula:  C18H16N6O2        Molecular Weight: 348.36
    IUPAC Name:  4-[1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]benzoic acid
    SMILES:  C#CCC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)O
    InChIKey: YDEZNQPWTMVPCH-UHFFFAOYSA-N
    InChI:  InChI=1S/C18H16N6O2/c1-2-3-12(10-4-6-11(7-5-10)17(25)26)8-13-9-21-16-14(22-13)15(19)23-18(20)24-16/h1,4-7,9,12H,3,8H2,(H,25,26)(H4,19,20,21,23,24)
  11. 2-Chloro-7,8-dihydropteridin-6(5H)-one
      Grade & Purity: 
    • ≥95%
    Cas Number: 875231-98-4        Compound CID:  29919669
    Formula:  C6H5ClN4O        Molecular Weight: 184.58
    IUPAC Name:  2-chloro-7,8-dihydro-5H-pteridin-6-one
    SMILES:  C1C(=O)NC2=CN=C(N=C2N1)Cl
    InChIKey: OINQHTVVSZHUSS-UHFFFAOYSA-N
    InChI:  InChI=1S/C6H5ClN4O/c7-6-9-1-3-5(11-6)8-2-4(12)10-3/h1H,2H2,(H,10,12)(H,8,9,11)
  12. Pteridine
      Grade & Purity: 
    • ≥98%
    Cas Number: 91-18-9        Compound CID:  1043
    Formula:  C6H4N4        Molecular Weight: 132.13
    IUPAC Name:  pteridine
    SMILES:  C1=CN=C2C(=N1)C=NC=N2
    InChIKey: CPNGPNLZQNNVQM-UHFFFAOYSA-N
    InChI:  InChI=1S/C6H4N4/c1-2-9-6-5(8-1)3-7-4-10-6/h1-4H
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