咪唑并嘧啶类

描述:

含有咪唑环与嘧啶环并联的有机多环化合物。咪唑为五元环，由三个碳原子及1位与3位两个氮原子中心构成；嘧啶为六元环，由四个碳原子及1位与3位两个氮原子中心构成。

上级分类:

有机化合物 ⮕ 有机杂环化合物 ⮕ 咪唑并嘧啶类

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tonapofylline
CAS: 340021-17-2 化合物 CID: 216466 分子式: C₂₂H₃₂N₄O₄ 分子量: 416.5

Moligand™ ?

期货货号: T614505

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价格与包装

技术标识符

IUPAC名称

3-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1-bicyclo[2.2.2]octanyl]propanoic acid

SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C34CCC(CC3)(CC4)CCC(=O)O

InChIKey

ZWTVVWUOTJRXKM-UHFFFAOYSA-N

InChI

1S/C22H32N4O4/c1-3-13-25-17-16(18(29)26(14-4-2)20(25)30)23-19(24-17)22-10-7-21(8-11-22,9-12-22)6-5-15(27)28/h3-14H2,1-2H3,(H,23,24)(H,27,28)

关联靶标

Adenosine receptor A2a, Adenosine receptor A2b, Adenosine receptor A1, Adenosine receptor A3
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puquitinib
化合物 CID: 15983184

Moligand™ ?

期货货号: P613018

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价格与包装

技术标识符

IUPAC名称

N'-cyclopropyl-N-quinolin-6-yl-7H-purine-2,6-diamine

SMILES

c1cnc2c(c1)cc(cc2)Nc1nc(NC2CC2)c2c(n1)nc[nH]2

InChIKey

QUTFBURLXCODBH-UHFFFAOYSA-N

InChI

1S/C17H15N7/c1-2-10-8-12(5-6-13(10)18-7-1)22-17-23-15-14(19-9-20-15)16(24-17)21-11-3-4-11/h1-2,5-9,11H,3-4H2,(H3,19,20,21,22,23,24)

关联靶标

Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
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oxidised ATP
CAS: 54970-91-1 化合物 CID: 5486828

Moligand™ ?

期货货号: O612578

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价格与包装

技术标识符

IUPAC名称

[[(2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-oxopropoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate

SMILES

O=C[C@H](O[C@@H](n1cnc2c1ncnc2N)C=O)COP(=O)(OP(=O)(OP(=O)(O)O)O)O

InChIKey

ZOSTZYMLOPBGQI-NKWVEPMBSA-N

InChI

1S/C10H14N5O13P3/c11-9-8-10(13-4-12-9)15(5-14-8)7(2-17)26-6(1-16)3-25-30(21,22)28-31(23,24)27-29(18,19)20/h1-2,4-7H,3H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t6-,7+/m0/s1

关联靶标

P2X purinoceptor 7
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[³H]DPCPX
化合物 CID: 53319341

Moligand™ ?

期货货号: H614102

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价格与包装

技术标识符

IUPAC名称

8-cyclopentyl-1,3-bis(1,3-ditritiopropyl)-7H-purine-2,6-dione

SMILES

C([3H])CC(n1c2nc([nH]c2c(=O)n(c1=O)C(CC[3H])[3H])C1CCCC1)[3H]

InChIKey

FFBDFADSZUINTG-LEZITTIZSA-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)/i1T,2T,9T,10T

关联靶标

Adenosine receptor A2b, Adenosine receptor A1
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[(3S)-3-[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]oxypyrrolidin-1-yl]-(oxan-4-yl)methanone
化合物 CID: 118556943

Moligand™ ?

期货货号: S609091

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价格与包装

技术标识符

IUPAC名称

[(3S)-3-[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]oxypyrrolidin-1-yl]-(oxan-4-yl)methanone

SMILES

CCn1ncc(c1C)c1nc2c(n1C)ncnc2O[C@H]1CCN(C1)C(=O)C1CCOCC1

InChIKey

FHKPLLOSJHHKNU-INIZCTEOSA-N

InChI

1S/C22H29N7O3/c1-4-29-14(2)17(11-25-29)19-26-18-20(27(19)3)23-13-24-21(18)32-16-5-8-28(12-16)22(30)15-6-9-31-10-7-15/h11,13,15-16H,4-10,12H2,1-3H3/t16-/m0/s1

关联靶标

Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
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WRC-0571
化合物 CID: 91827359

Moligand™ ?

期货货号: W614875

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价格与包装

技术标识符

IUPAC名称

5-[[9-methyl-8-[methyl(propan-2-yl)amino]purin-6-yl]amino]bicyclo[2.2.1]heptan-2-ol

SMILES

OC1CC2CC1C[C@H]2Nc1ncnc2c1nc(n2C)N(C(C)C)C

InChIKey

FTVZUYADPTUEKI-AYNROABZSA-N

InChI

1S/C17H26N6O/c1-9(2)22(3)17-21-14-15(18-8-19-16(14)23(17)4)20-12-6-11-5-10(12)7-13(11)24/h8-13,24H,5-7H2,1-4H3,(H,18,19,20)/t10?,11?,12-,13?/m1/s1

关联靶标

Adenosine receptor A1
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ST-1535
化合物 CID: 9860294

Moligand™ ?

期货货号: S613726

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价格与包装

技术标识符

IUPAC名称

2-butyl-9-methyl-8-(triazol-2-yl)purin-6-amine

SMILES

CCCCc1nc(N)c2c(n1)n(C)c(n2)n1nccn1

InChIKey

CYYQMAWUIRPCNW-UHFFFAOYSA-N

InChI

1S/C12H16N8/c1-3-4-5-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-6-7-15-20/h6-7H,3-5H2,1-2H3,(H2,13,16,17)

关联靶标

Adenosine receptor A2a, Adenosine receptor A2b, Adenosine receptor A1, Adenosine receptor A3
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MRS2496
CAS: 491611-67-7 化合物 CID: 10894633

Moligand™ ?

期货货号: M612048

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价格与包装

技术标识符

IUPAC名称

[2-[(2-chloro-6-methylaminopurin-9-yl)methyl]-3-phosphonopropyl]phosphonic acid

SMILES

CNc1nc(Cl)nc2c1ncn2CC(CP(=O)(O)O)CP(=O)(O)O

InChIKey

FFBIISIICFTESN-UHFFFAOYSA-N

InChI

1S/C10H16ClN5O6P2/c1-12-8-7-9(15-10(11)14-8)16(5-13-7)2-6(3-23(17,18)19)4-24(20,21)22/h5-6H,2-4H2,1H3,(H,12,14,15)(H2,17,18,19)(H2,20,21,22)

关联靶标

P2Y purinoceptor 1
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MRS2500
CAS: 779323-43-2 化合物 CID: 44448831

Moligand™ ?

期货货号: M612049

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价格与包装

技术标识符

IUPAC名称

[(1R,2S,4S,5S)-4-[2-iodo-6-(methylamino)purin-9-yl]-2-phosphonooxy-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate

SMILES

CNc1nc(I)nc2c1ncn2[C@H]1C[C@@H]([C@]2([C@@H]1C2)COP(=O)(O)O)OP(=O)(O)O

InChIKey

NMVWLEUONAKGCD-SMWKGLLFSA-N

InChI

1S/C13H18IN5O8P2/c1-15-10-9-11(18-12(14)17-10)19(5-16-9)7-2-8(27-29(23,24)25)13(3-6(7)13)4-26-28(20,21)22/h5-8H,2-4H2,1H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t6-,7+,8+,13+/m1/s1

关联靶标

P2Y purinoceptor 1
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MRS2298
CAS: 491611-43-9 化合物 CID: 10432920

Moligand™ ?

期货货号: M612046

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价格与包装

技术标识符

IUPAC名称

[2-[(2-chloro-6-methylaminopurin-9-yl)methyl]-3-phosphonooxypropyl] dihydrogen phosphate

SMILES

CNc1nc(Cl)nc2c1ncn2CC(COP(=O)(O)O)COP(=O)(O)O

InChIKey

GMCUIIHBWNOHIM-UHFFFAOYSA-N

InChI

1S/C10H16ClN5O8P2/c1-12-8-7-9(15-10(11)14-8)16(5-13-7)2-6(3-23-25(17,18)19)4-24-26(20,21)22/h5-6H,2-4H2,1H3,(H,12,14,15)(H2,17,18,19)(H2,20,21,22)

关联靶标

P2Y purinoceptor 1
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MRE 2029F20
CAS: 574753-99-4 化合物 CID: 135484064

Moligand™ ?

期货货号: M612013

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价格与包装

技术标识符

IUPAC名称

N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-methyl-1H-pyrazol-3-yl]oxy}acetamide

SMILES

CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc2c(c1)OCO2

InChIKey

DBWQRFKXNBVPGA-UHFFFAOYSA-N

InChI

1S/C24H27N7O6/c1-4-8-30-22-20(23(33)31(9-5-2)24(30)34)26-21(27-22)15-11-19(28-29(15)3)35-12-18(32)25-14-6-7-16-17(10-14)37-13-36-16/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3,(H,25,32)(H,26,27)

关联靶标

Adenosine receptor A2a, Adenosine receptor A2b, Adenosine receptor A1, Adenosine receptor A3
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MRS1754
化合物 CID: 6603931

Moligand™ ?

期货货号: M612042

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价格与包装

技术标识符

IUPAC名称

N-(4-cyanophenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide

SMILES

CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N

InChIKey

AJBBEYXFRYFVNM-UHFFFAOYSA-N

InChI

1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30)

关联靶标

Cytochrome P450 3A4, Adenosine receptor A2a, Adenosine receptor A2b, Adenosine receptor A1, Adenosine receptor A3