Pyrido[3,4-d]pyrimidines

Description:

Compounds containing the pyrido[3,4-d]pyrimidine ring system, which is a pyridopyrimidine isomer with three ring nitrogen atoms at the 1-, 3-, and 7- position.

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  1. 4,6-Dichloro-2-methylpyrido[3,4-d]pyrimidine
    CAS: 1029720-75-9 PubChem CID: 71463738 Formula: C8H5Cl2N3 Molecular Weight: 214.06
    Out of Stock Item #: D734934
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    IUPAC Name
    4,6-dichloro-2-methylpyrido[3,4-d]pyrimidine
    SMILES
    CC1=NC2=CN=C(C=C2C(=N1)Cl)Cl
    InChIKey
    SBKMZNBMKPJHRW-UHFFFAOYSA-N
    InChI
    1S/C8H5Cl2N3/c1-4-12-6-3-11-7(9)2-5(6)8(10)13-4/h2-3H,1H3
  2. Pyrido[3,4-d]pyrimidine-2,4(1H,3H)-dione
    CAS: 21038-67-5 EC Number: 862-367-0 PubChem CID: 278397 Formula: C7H5N3O2 Molecular Weight: 163.14
    Solid ≥97%
    Out of Stock Item #: P697075
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    IUPAC Name
    1H-pyrido[3,4-d]pyrimidine-2,4-dione
    SMILES
    C1=CN=CC2=C1C(=O)NC(=O)N2
    InChIKey
    MNNWQAIAFUMNOS-UHFFFAOYSA-N
    InChI
    1S/C7H5N3O2/c11-6-4-1-2-8-3-5(4)9-7(12)10-6/h1-3H,(H2,9,10,11,12)
    Synonyms
    Pyrido[3,4-d]pyrimidine-2,4-diol
  3. 4,8-dichloropyrido[3,4-d]pyrimidine
    CAS: 1260663-37-3 PubChem CID: 71699693
    Out of Stock Item #: D679739
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    IUPAC Name
    4,8-dichloropyrido[3,4-d]pyrimidine
    SMILES
    C1=CN=C(C2=C1C(=NC=N2)Cl)Cl
    InChIKey
    YXWADPHHQXVLEL-UHFFFAOYSA-N
    InChI
    1S/C7H3Cl2N3/c8-6-4-1-2-10-7(9)5(4)11-3-12-6/h1-3H
  4. Tarlox-TKI
    CAS: 2135696-72-7 PubChem CID: 51037658 Formula: C19H18BrClN6O Molecular Weight: 461.74
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥97%
    Out of Stock Item #: T648908
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    IUPAC Name
    (E)-N-[4-(3-bromo-4-chloroanilino)pyrido[3,4-d]pyrimidin-6-yl]-4-(dimethylamino)but-2-enamide
    SMILES
    CN(C)CC=CC(=O)NC1=NC=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)Cl)Br
    InChIKey
    QBACGOWRJDBXSG-ONEGZZNKSA-N
    InChI
    1S/C19H18BrClN6O/c1-27(2)7-3-4-18(28)26-17-9-13-16(10-22-17)23-11-24-19(13)25-12-5-6-15(21)14(20)8-12/h3-6,8-11H,7H2,1-2H3,(H,22,26,28)(H,23,24,25)/b4show more
    Synonyms
    SCHEMBL11903013 | EX-A3689 | GTPL9410 | Kinase inhibitor-1 | (2E)-N-{4-[(3-bromo-4-chlorophenyl)amino]pyrido[3,4-d]py...
  5. Tarloxotinib bromide
    CAS: 1636180-98-7 PubChem CID: 51038315 Formula: C24H24Br2ClN9O3 Molecular Weight: 681.77
    Out of Stock Item #: T647912
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    IUPAC Name
    [(E)-4-[[4-(3-bromo-4-chloroanilino)pyrido[3,4-d]pyrimidin-6-yl]amino]-4-oxobut-2-enyl]-dimethyl-[(3-methyl-5-nitroimidazol-4-yl)methyl]azanium;bromidshow more
    SMILES
    CN1C=NC(=C1C[N+](C)(C)CC=CC(=O)NC2=NC=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)Cl)Br)[N+](=O)[O-].[Br-]
    InChIKey
    WAKIMVYUBWMMHJ-FXRZFVDSSA-N
    InChI
    1S/C24H23BrClN9O3.BrH/c1-33-14-30-24(34(37)38)20(33)12-35(2,3)8-4-5-22(36)32-21-10-16-19(11-27-21)28-13-29-23(16)31-15-6-7-18(26)17(25)9-15;/h4-7,9-11show more
    Synonyms
    Tarloxotinib bromide [INN] | UNII-3Y31FJ8K50 | AKOS040739933 | Tarloxotinib (bromide) | 1H-Imidazole-5-methanaminium,...
  6. 8-chloro-2-(methylsulfanyl)pyrido[3,4-d]pyrimidine
    CAS: 1578245-95-0 PubChem CID: 89996025 Formula: C8H6ClN3S Molecular Weight: 211.67
    Out of Stock Item #: C629736
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    IUPAC Name
    8-chloro-2-methylsulfanylpyrido[3,4-d]pyrimidine
    SMILES
    CSC1=NC=C2C=CN=C(C2=N1)Cl
    InChIKey
    QMICGHGYKZQSQO-UHFFFAOYSA-N
    InChI
    1S/C8H6ClN3S/c1-13-8-11-4-5-2-3-10-7(9)6(5)12-8/h2-4H,1H3
    Synonyms
    1578245-95-0 | 8-Chloro-2-(methylthio)pyrido[3,4-d]pyrimidine | 8-Chloro-2-(methylsulfanyl)pyrido[3,4-d]pyrimidine | ...
  7. 8-Chloro-2-methylsulfonyl-pyrido[3,4-d]pyrimidine
    CAS: 1578246-63-5 PubChem CID: 89996157 Formula: C8H6N3O2SCl Molecular Weight: 243.67
    Out of Stock Item #: C629737
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    IUPAC Name
    8-chloro-2-methylsulfonylpyrido[3,4-d]pyrimidine
    SMILES
    CS(=O)(=O)C1=NC=C2C=CN=C(C2=N1)Cl
    InChIKey
    SWDQPJHFRZZXDQ-UHFFFAOYSA-N
    InChI
    1S/C8H6ClN3O2S/c1-15(13,14)8-11-4-5-2-3-10-7(9)6(5)12-8/h2-4H,1H3
    Synonyms
    8-Chloro-2-(methylsulfonyl)pyrido[3,4-d]pyrimidine | 1578246-63-5 | 8-Chloro-2-methanesulfonyl-pyrido[3,4-d]pyrimidin...
  8. 6-chloropyrido[3,4-d]pyrimidin-4-amine
    CAS: 1289187-97-8 PubChem CID: 87262824 Formula: C7H5N4Cl Molecular Weight: 180.59
    Out of Stock Item #: C628111
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    IUPAC Name
    6-chloropyrido[3,4-d]pyrimidin-4-amine
    SMILES
    C1=C2C(=CN=C1Cl)N=CN=C2N
    InChIKey
    QHJNXFUNGGUIDH-UHFFFAOYSA-N
    InChI
    1S/C7H5ClN4/c8-6-1-4-5(2-10-6)11-3-12-7(4)9/h1-3H,(H2,9,11,12)
    Synonyms
    6-chloropyrido[3,4-d]pyrimidin-4-amine | 1289187-97-8 | Pyrido[3,4-d]pyrimidin-4-amine, 6-chloro- | SCHEMBL1584799 | ...
  9. 4-chloro-6-fluoropyrido[3,4-d]pyrimidine
    CAS: 175357-98-9 PubChem CID: 10679041 Formula: C7H3ClFN3 Molecular Weight: 183.57
    Out of Stock Item #: C630303
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    IUPAC Name
    4-chloro-6-fluoropyrido[3,4-d]pyrimidine
    SMILES
    C1=C2C(=CN=C1F)N=CN=C2Cl
    InChIKey
    MGWFUQALPUPAER-UHFFFAOYSA-N
    InChI
    1S/C7H3ClFN3/c8-7-4-1-6(9)10-2-5(4)11-3-12-7/h1-3H
    Synonyms
    A1-01965 | Pyrido[3,4-d]pyrimidine, 4-chloro-6-fluoro- | 4-chloro-6-fluoro-pyrido[3,4-d]pyrimidine | 4-chloro-6-fluor...
  10. tarloxotinib
    CAS: 1636938-13-0 PubChem CID: 51038316 Formula: C24H24BrClN9O3+ Molecular Weight: 601.9
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
    Out of Stock Item #: T614334
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    Technical Identifiers
    IUPAC Name
    [(E)-4-[[4-(3-bromo-4-chloroanilino)pyrido[3,4-d]pyrimidin-6-yl]amino]-4-oxobut-2-enyl]-dimethyl-[(3-methyl-5-nitroimidazol-4-yl)methyl]azanium
    SMILES
    O=C(Nc1ncc2c(c1)c(ncn2)Nc1ccc(c(c1)Br)Cl)/C=C/C[N+](Cc1n(C)cnc1[N+](=O)[O-])(C)C
    InChIKey
    MUJMYVFVAWFUJL-SNAWJCMRSA-O
    InChI
    1S/C24H23BrClN9O3/c1-33-14-30-24(34(37)38)20(33)12-35(2,3)8-4-5-22(36)32-21-10-16-19(11-27-21)28-13-29-23(16)31-15-6-7-18(26)17(25)9-15/h4-7,9-11,13-1show more
    Synonyms
    TH-4000 | GTPL9409 | SCHEMBL19733352 | Tarloxotinib ion | Tarloxotinib cation | TARLOXOTINIB [WHO-DD] | UNII-H8768UL0...
  11. TH-4000E
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
    Out of Stock Item #: T614415
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    IUPAC Name
    (2E)-N-{4-[(3-bromo-4-chlorophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}-4-(dimethylamino)but-2-enamide
    SMILES
    CN(C/C=C/C(=O)Nc1ncc2c(c1)c(ncn2)Nc1ccc(c(c1)Br)Cl)C
    InChIKey
    QBACGOWRJDBXSG-ONEGZZNKSA-N
    InChI
    1S/C19H18BrClN6O/c1-27(2)7-3-4-18(28)26-17-9-13-16(10-22-17)23-11-24-19(13)25-12-5-6-15(21)14(20)8-12/h3-6,8-11H,7H2,1-2H3,(H,22,26,28)(H,23,24,25)/b4show more
    Synonyms
    SCHEMBL11903013 | EX-A3689 | GTPL9410 | Kinase inhibitor-1 | (2E)-N-{4-[(3-bromo-4-chlorophenyl)amino]pyrido[3,4-d]py...
  12. N-cycloheptyl-6-(2-morpholin-4-ylethoxy)pyrido[4,5-e]pyrimidin-4-amine
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
    Out of Stock Item #: N609111
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    IUPAC Name
    N-cycloheptyl-6-(2-morpholin-4-ylethoxy)pyrido[4,5-e]pyrimidin-4-amine
    SMILES
    C1CCCC(CC1)Nc1ncnc2c1cc(OCCN1CCOCC1)nc2
    InChIKey
    OGIVDFLCEHDQBN-UHFFFAOYSA-N
    InChI
    1S/C20H29N5O2/c1-2-4-6-16(5-3-1)24-20-17-13-19(21-14-18(17)22-15-23-20)27-12-9-25-7-10-26-11-8-25/h13-16H,1-12H2,(H,22,23,24)
    Synonyms
    compound 32
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