Xanthines

Description:

Purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.

Ancestors:

Organic compounds ⮕ Organoheterocyclic compounds ⮕ Imidazopyrimidines ⮕ Purines and purine derivatives ⮕ Xanthines

Popular Products

HC-070
CAS: 1628291-95-1 PubChem CID: 85473309 Formula: C₂₂H₂₀Cl₂N₄O₄ Molecular Weight: 475.32

Solid Moligand™ ? ≥98%

In Stock Item #: H1492609

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Technical Identifiers

IUPAC Name

8-(3-chlorophenoxy)-7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione

SMILES

CN1C2=C(C(=O)N(C1=O)CCCO)N(C(=N2)OC3=CC(=CC=C3)Cl)CC4=CC=C(C=C4)Cl

InChIKey
VYJPVPHNGWEIBT-UHFFFAOYSA-N

InChI

1S/C22H20Cl2N4O4/c1-26-19-18(20(30)27(22(26)31)10-3-11-29)28(13-14-6-8-15(23)9-7-14)21(25-19)32-17-5-2-4-16(24)12-17/h2,4-9,12,29H,3,10-11,13H2,1H3
8-ethyl-1,3,6,7-tetramethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CAS: 19970-45-7 PubChem CID: 3162678

≥98%

Out of Stock Item #: E1016122

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IUPAC Name

6-ethyl-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione

SMILES

CCN1C(=C(N2C1=NC3=C2C(=O)N(C(=O)N3C)C)C)C

InChIKey
JKJLETUKWLALKV-UHFFFAOYSA-N

InChI

1S/C13H17N5O2/c1-6-17-7(2)8(3)18-9-10(14-12(17)18)15(4)13(20)16(5)11(9)19/h6H2,1-5H3
7-[(4-fluorophenyl)methyl]-8-{[2-(1H-indol-3-yl)ethyl]amino}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAS: 885896-54-8 EC Number: 854-657-0 Formula: C₂₄H₂₃FN₆O₂ Molecular Weight: 446.5

≥99%

Out of Stock Item #: F1252383

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IUPAC Name

7-[(4-fluorophenyl)methyl]-8-[2-(1H-indol-3-yl)ethylamino]-1,3-dimethylpurine-2,6-dione

SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)F

InChIKey
JMZXYZSTEKMPDV-UHFFFAOYSA-N

InChI

1S/C24H23FN6O2/c1-29-21-20(22(32)30(2)24(29)33)31(14-15-7-9-17(25)10-8-15)23(28-21)26-12-11-16-13-27-19-6-4-3-5-18(16)19/h3-10,13,27H,11-12,14H2,1-2H3show more
A 802715
CAS: 107767-58-8 PubChem CID: 129959

≥98%

Out of Stock Item #: A1322155

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IUPAC Name

1-(5-hydroxy-5-methylhexyl)-3-methyl-7-propylpurine-2,6-dione

SMILES

CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(C)(C)O

InChIKey
SBKAARSDXHSHSM-UHFFFAOYSA-N

InChI

1S/C16H26N4O3/c1-5-9-19-11-17-13-12(19)14(21)20(15(22)18(13)4)10-7-6-8-16(2,3)23/h11,23H,5-10H2,1-4H3
3,7-Dimethyl-8-quinolin-2-ylsulfanylpurine-2,6-dione
CAS: 878451-87-7 PubChem CID: 6485821

≥99%

Out of Stock Item #: D1307813

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IUPAC Name

3,7-dimethyl-8-quinolin-2-ylsulfanylpurine-2,6-dione

SMILES

CN1C2=C(N=C1SC3=NC4=CC=CC=C4C=C3)N(C(=O)NC2=O)C

InChIKey
UHUHSGFUUWVRBO-UHFFFAOYSA-N

InChI

1S/C16H13N5O2S/c1-20-12-13(21(2)15(23)19-14(12)22)18-16(20)24-11-8-7-9-5-3-4-6-10(9)17-11/h3-8H,1-2H3,(H,19,22,23)
1,1-(Propane-1,3-diyl)bis(3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione)
CAS: 74857-22-0 PubChem CID: 5025063 Formula: C₁₇H₂₀N₈O₄ Molecular Weight: 400.39

≥98%

Out of Stock Item #: P1348001

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IUPAC Name

1-[3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl]-3,7-dimethylpurine-2,6-dione

SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCN3C(=O)C4=C(N=CN4C)N(C3=O)C

InChIKey
KEPIKAFUZRKZMT-UHFFFAOYSA-N

InChI

1S/C17H20N8O4/c1-20-8-18-12-10(20)14(26)24(16(28)22(12)3)6-5-7-25-15(27)11-13(19-9-21(11)2)23(4)17(25)29/h8-9H,5-7H2,1-4H3
Tazifylline
CAS: 79712-55-3 PubChem CID: 54424

Out of Stock Item #: T1356204

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IUPAC Name

7-[2-hydroxy-3-[4-(3-phenylsulfanylpropyl)piperazin-1-yl]propyl]-1,3-dimethylpurine-2,6-dione

SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN3CCN(CC3)CCCSC4=CC=CC=C4)O

InChIKey
JTOUASWUIMAMAD-UHFFFAOYSA-N

InChI

1S/C23H32N6O3S/c1-25-21-20(22(31)26(2)23(25)32)29(17-24-21)16-18(30)15-28-12-10-27(11-13-28)9-6-14-33-19-7-4-3-5-8-19/h3-5,7-8,17-18,30H,6,9-16H2,1-2Hshow more
Ct-2584
CAS: 166981-13-1 PubChem CID: 3081346

Out of Stock Item #: C1030313

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IUPAC Name

1-[11-(dodecylamino)-10-hydroxyundecyl]-3,7-dimethylpurine-2,6-dione

SMILES

CCCCCCCCCCCCNCC(CCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

InChIKey
MZNMZWZGUGFQJP-UHFFFAOYSA-N

InChI

1S/C30H55N5O3/c1-4-5-6-7-8-9-10-13-16-19-22-31-24-26(36)21-18-15-12-11-14-17-20-23-35-29(37)27-28(32-25-33(27)2)34(3)30(35)38/h25-26,31,36H,4-24H2,1-3show more
Theodrenaline hydrochloride
CAS: 2572-61-4 EC Number: 219-920-0 Formula: C₁₇H₂₂ClN₅O₅ Molecular Weight: 411.800

Out of Stock Item #: T928856

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IUPAC Name

7-[2-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]ethyl]-1,3-dimethylpurine-2,6-dione;hydrochloride

SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC(C3=CC(=C(C=C3)O)O)O.Cl

InChIKey
CSKCJAUXLOQTMM-UHFFFAOYSA-N

InChI

1S/C17H21N5O5.ClH/c1-20-15-14(16(26)21(2)17(20)27)22(9-19-15)6-5-18-8-13(25)10-3-4-11(23)12(24)7-10;/h3-4,7,9,13,18,23-25H,5-6,8H2,1-2H3;1H
(S)-Lisofylline
CAS: 100324-80-9 Formula: C₁₃H₂₀N₄O₃ Molecular Weight: 280.32

≥99%

Out of Stock Item #: S1323863

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IUPAC Name

1-[(5S)-5-hydroxyhexyl]-3,7-dimethylpurine-2,6-dione

SMILES

C[C@@H](CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

InChIKey
NSMXQKNUPPXBRG-VIFPVBQESA-N

InChI

1S/C13H20N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8-9,18H,4-7H2,1-3H3/t9-/m0/s1
(+/-)-Lisofylline-d6
CAS: 1185995-26-9 PubChem CID: 46782068 Formula: C₁₃H₁₄D₆N₄O₃ Molecular Weight: 286.36

Out of Stock Item #: L936527

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IUPAC Name

1-(5-hydroxyhexyl)-3,7-bis(trideuteriomethyl)purine-2,6-dione

SMILES

CC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

InChIKey
NSMXQKNUPPXBRG-XERRXZQWSA-N

InChI

1S/C13H20N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8-9,18H,4-7H2,1-3H3/i2D3,3D3
8-Cyclopentyl-1,3-dipropylxanthine
CAS: 102146-07-6 EC Number: 634-445-2 PubChem CID: 1329 Formula: C₁₆H₂₄N₄O₂ Molecular Weight: 304.39

Solid Moligand™ ? ≥98%

In Stock Item #: C769956

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IUPAC Name

8-cyclopentyl-1,3-dipropyl-7H-purine-2,6-dione

SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3CCCC3

InChIKey
FFBDFADSZUINTG-UHFFFAOYSA-N

InChI

1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)

Synonyms
PD 116948 | DPCPX

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