Purines and purine derivatives

Caffeine (Powder/USP/FCC), Fisher Chemical

CAS: 58-08-2 Molecular Formula: C8H10N4O2 Molecular Weight (g/mol): 194.194 MDL Number: MFCD00005758 InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N Synonym: 1,3,7-trimethylxanthine, alert-pep, cafeina, caffeine, guaranine, koffein, mateina, methyltheobromine, thein, theine PubChem CID: 2519 ChEBI: CHEBI:27732 IUPAC Name: 1,3,7-trimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)N(C(=O)N2C)C

Alfa Aesar™ 2-Thioxanthine, 98+%

CAS: 2487-40-3 Molecular Formula: C5H4N4OS Molecular Weight (g/mol): 168.174 MDL Number: MFCD00031505 InChI Key: XNHFAGRBSMMFKL-UHFFFAOYSA-N Synonym: 2-mercapto-6-hydroxypurine, 2-mercapto-9h-purin-6-ol, 2-thio-6-oxypurine, 2-thioxanthene, 2-thioxanthine, 2-thioxo-2,3-dihydro-1h-purin-6 7h-one, 6-hydroxy-2-mercaptopurine, 6-hydroxypurine-2-thiol, 6h-purin-6-one, 1,2,3,7-tetrahydro-2-thioxo, xanthine, 2-thio PubChem CID: 1268185 IUPAC Name: 2-sulfanylidene-3,7-dihydropurin-6-one SMILES: C1=NC2=C(N1)C(=O)NC(=S)N2

6-Thioguanine, 98%, Alfa Aesar™

CAS: 154-42-7 Molecular Formula: C5H5N5S Molecular Weight (g/mol): 167.19 MDL Number: MFCD00233553 InChI Key: WYWHKKSPHMUBEB-UHFFFAOYSA-N Synonym: 2-amino-6-mercaptopurine, 2-amino-6-purinethiol, 2-aminopurine-6-thiol, 6-mercaptoguanine, 6-thioguanine, lanvis, tabloid, thioguanine, tioguanin, tioguanine PubChem CID: 2723601 ChEBI: CHEBI:9555 IUPAC Name: 2-amino-3,7-dihydropurine-6-thione SMILES: C1=NC2=C(N1)C(=S)N=C(N2)N

Caffeine, 99%, Alfa Aesar™

CAS: 58-08-2 Molecular Formula: C8H10N4O2 Molecular Weight (g/mol): 194.194 MDL Number: MFCD00005758 InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N Synonym: 1,3,7-trimethylxanthine, alert-pep, cafeina, caffeine, guaranine, koffein, mateina, methyltheobromine, thein, theine PubChem CID: 2519 ChEBI: CHEBI:27732 IUPAC Name: 1,3,7-trimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)N(C(=O)N2C)C

Adenine, >98%, Affymetrix/USB™

CAS: 73-24-5 Molecular Formula: C5H5N5 Molecular Weight (g/mol): 135.13 MDL Number: MFCD00041790 InChI Key: GFFGJBXGBJISGV-UHFFFAOYSA-N Synonym: 1h-purin-6-amine, 6-amino-1h-purine, 6-amino-3h-purine, 6-aminopurine, 9h-purin-6-amine, adenin, adenine, adeninimine, leuco-4, vitamin b4 PubChem CID: 190 ChEBI: CHEBI:16708 IUPAC Name: 7H-purin-6-amine SMILES: C1=NC2=C(N1)C(=NC=N2)N

Alfa Aesar™ Xanthine, 99%

CAS: 69-89-6 Molecular Formula: C5H4N4O2 Molecular Weight (g/mol): 152.113 MDL Number: MFCD00078453 InChI Key: LRFVTYWOQMYALW-UHFFFAOYSA-N Synonym: 1h-purine-2,6 3h,7h-dione, 1h-purine-2,6-diol, 2,6-dihydroxypurine, 2,6-dioxopurine, 9h-purine-2,6-diol, isoxanthine, pseudoxanthine, xanthic oxide, xanthin, xanthine PubChem CID: 1188 ChEBI: CHEBI:17712 IUPAC Name: 3,7-dihydropurine-2,6-dione SMILES: C1=NC2=C(N1)C(=O)NC(=O)N2

NECA, Tocris Bioscience™ Available on GSA/VA Contract for Federal Government customers only.

CAS: 35920-39-9 Molecular Formula: C12H16N6O4 Molecular Weight (g/mol): 308.298 InChI Key: JADDQZYHOWSFJD-MEUQOTJWSA-N Synonym: 2s,3s,4r,5s-5-6-aminopurin-9-yl-n-ethyl-3,4-dihydroxyoxolane-2-carboxamide PubChem CID: 6541320 IUPAC Name: (2S,3S,4R,5S)-5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide SMILES: CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O

6-Thioguanine, Tocris Bioscience™

CAS: 154-42-7 Molecular Formula: C5H5N5S Molecular Weight (g/mol): 167.19 InChI Key: WYWHKKSPHMUBEB-UHFFFAOYSA-N Synonym: 2-amino-6-mercaptopurine, 2-amino-6-purinethiol, 2-aminopurine-6-thiol, 6-mercaptoguanine, 6-thioguanine, lanvis, tabloid, thioguanine, tioguanin, tioguanine PubChem CID: 2723601 ChEBI: CHEBI:9555 IUPAC Name: 2-amino-3,7-dihydropurine-6-thione SMILES: C1=NC2=C(N1)C(=S)N=C(N2)N

Alfa Aesar™ Uric acid, 99%

CAS: 69-93-2 Molecular Formula: C5H4N4O3 Molecular Weight (g/mol): 168.112 MDL Number: MFCD00005712 InChI Key: LEHOTFFKMJEONL-UHFFFAOYSA-N Synonym: 1h-purine-2,6,8 3h-trione, 7,9-dihydro, 1h-purine-2,6,8-triol, 2,6,8-trihydroxypurine, 2,6,8-trioxopurine, 2,6,8-trioxypurine, 7,9-dihydro-1h-purine-2,6,8 3h-trione, 8-hydroxyxanthine, lithic acid, urate, uric acid PubChem CID: 1175 ChEBI: CHEBI:17775 IUPAC Name: 7,9-dihydro-3H-purine-2,6,8-trione SMILES: C12=C(NC(=O)N1)NC(=O)NC2=O

Adenine 99.0+%, TCI America™

CAS: 73-24-5 Molecular Formula: C5H5N5 Molecular Weight (g/mol): 135.13 MDL Number: MFCD00041790 InChI Key: GFFGJBXGBJISGV-UHFFFAOYSA-N Synonym: 1h-purin-6-amine, 6-amino-1h-purine, 6-amino-3h-purine, 6-aminopurine, 9h-purin-6-amine, adenin, adenine, adeninimine, leuco-4, vitamin b4 PubChem CID: 190 ChEBI: CHEBI:16708 IUPAC Name: 7H-purin-6-amine SMILES: C1=NC2=C(N1)C(=NC=N2)N

Adenine, 99%, Alfa Aesar™

CAS: 73-24-5 Molecular Formula: C5H5N5 Molecular Weight (g/mol): 135.13 MDL Number: MFCD00041790 InChI Key: GFFGJBXGBJISGV-UHFFFAOYSA-N Synonym: 1h-purin-6-amine, 6-amino-1h-purine, 6-amino-3h-purine, 6-aminopurine, 9h-purin-6-amine, adenin, adenine, adeninimine, leuco-4, vitamin b4 PubChem CID: 190 ChEBI: CHEBI:16708 IUPAC Name: 7H-purin-6-amine SMILES: C1=NC2=C(N1)C(=NC=N2)N

3-Methyladenine, Tocris Bioscience™

CAS: 5142-23-4 Molecular Formula: C6H7N5 Molecular Weight (g/mol): 149.157 InChI Key: FSASIHFSFGAIJM-UHFFFAOYSA-N Synonym: 3-ma, 3-methyl-3h-adenine, 3-methyl-3h-purin-6-amine, 3-methyl-3h-purin-6-ylamine, 3-methyladenine, 3-methyladenine 3-ma, 3h-purin-6-amine, 3-methyl, 6-amino-3-methylpurine, adenine, 3-methyl, n3-methyladenine PubChem CID: 1673 ChEBI: CHEBI:38635 IUPAC Name: 3-methylpurin-6-amine SMILES: CN1C=NC(=C2C1=NC=N2)N

Caffeine, 99.7%, Alfa Aesar™

CAS: 58-08-2 Molecular Formula: C8H10N4O2 Molecular Weight (g/mol): 194.194 MDL Number: MFCD00005758 InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N Synonym: 1,3,7-trimethylxanthine, alert-pep, cafeina, caffeine, guaranine, koffein, mateina, methyltheobromine, thein, theine PubChem CID: 2519 ChEBI: CHEBI:27732 IUPAC Name: 1,3,7-trimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)N(C(=O)N2C)C

2′,3′-O-Isopropylideneadenosine 98.0+%, TCI America™

CAS: 362-75-4 Molecular Formula: C13H17N5O4 Molecular Weight (g/mol): 307.31 MDL Number: MFCD00005756 InChI Key: LCCLUOXEZAHUNS-WOUKDFQISA-N Synonym: 1r,2r,4r,5r-4-6-aminopurin-9-yl-7,7-dimethyl-3,6,8-trioxabicyclo 3.3.0 oc t-2-yl methan-1-ol, 2 ,3-o-isopropylideneadenosine, 2',3'-isopropylideneadenosine, 2',3'-o-isopropylideneadenosine, 3ar,4r,6r,6ar-4-6-aminopurin-9-yl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro 3,4-d 1,3 dioxol-6-yl methanol, 3ar,4r,6r,6ar-6-6-amino-9h-purin-9-yl-2,2-dimethyl-tetrahydro-2h-furo 3,4-d 1,3 dioxol-4-yl methanol, 3ar,4r,6r,6ar-6-6-amino-9h-purin-9-yl-2,2-dimethyltetrahydrofuro 3,4-d 1,3 dioxol-4-yl methanol, 3ar,4r,6r,6ar-6-6-aminopurin-9-yl-2,2-dimethyl-tetrahydrofuro 3,4-d 1,3 dioxol-4-yl methanol, pubchem14185 PubChem CID: 2723654 IUPAC Name: [(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol SMILES: CC1(OC2C(OC(C2O1)N3C=NC4=C3N=CN=C4N)CO)C

HC 030031, Tocris Bioscience™ Available on GSA/VA Contract for Federal Government customers only.

CAS: 349085-38-7 Molecular Formula: C18H21N5O3 Molecular Weight (g/mol): 355.398 InChI Key: HEQDZPHDVAOBLN-UHFFFAOYSA-N Synonym: 2-1,3-dimethyl-2,6-dioxo 1,3,7-trihydropurin-7-yl-n-4-methylethyl phenyl acetamide, 2-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl-n-4-isopropylphenyl acetamide, 2-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl-n-4-propan-2-yl phenyl acetamide, 2-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurin-7-yl-n-4-isopropylphenyl acetamide, 2-1,3-dimethyl-2,6-dioxo-2,3-dihydro-1h-purin-7 6h-yl-n-4-isopropylphenyl acetamide, 2-1,3-dimethyl-2,6-dioxopurin-7-yl-n-4-isopropylphenyl acetamide, 2-1,3-dimethyl-2,6-dioxopurin-7-yl-n-4-propan-2-ylphenyl acetamide, d0d6mc, hc hplc , powder, trpa1 inhibitor pain/inflammation , hydra biosciences/cubist pharmaceuticals PubChem CID: 1150897 IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-propan-2-ylphenyl)acetamide SMILES: CC(C)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

Istradefylline, Tocris Bioscience™

CAS: 155270-99-8 Molecular Formula: C20H24N4O4 Molecular Weight (g/mol): 384.436 InChI Key: IQVRBWUUXZMOPW-PKNBQFBNSA-N Synonym: 2gz0lik7t4, 8-e-2-3,4-dimethoxyphenyl ethenyl-1,3-diethyl-7-methyl-purine-2,6-dione, 8-e-2-3,4-dimethoxyphenyl ethenyl-1,3-diethyl-7-methylpurine-2,6-dione, e-8-3,4-dimethoxystyryl-1,3-diethyl-7-methyl-1h-purine-2,6 3h,7h-dione, e-8-3,4-dimethoxystyryl-1,3-diethyl-7-methylxanthine, istradefylline, istradefylline jan/usan/inn, istradefylline kw-6002, istradefylline usan:inn, unii-2gz0lik7t4 PubChem CID: 5311037 IUPAC Name: 8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione SMILES: CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)C=CC3=CC(=C(C=C3)OC)OC)C

3-Methyladenine, TCI America™

CAS: 5142-23-4 Molecular Formula: C6H7N5 Molecular Weight (g/mol): 149.157 MDL Number: MFCD00010531 InChI Key: FSASIHFSFGAIJM-UHFFFAOYSA-N Synonym: 3-ma, 3-methyl-3h-adenine, 3-methyl-3h-purin-6-amine, 3-methyl-3h-purin-6-ylamine, 3-methyladenine, 3-methyladenine 3-ma, 3h-purin-6-amine, 3-methyl, 6-amino-3-methylpurine, adenine, 3-methyl, n3-methyladenine PubChem CID: 1673 ChEBI: CHEBI:38635 IUPAC Name: 3-methylpurin-6-amine SMILES: CN1C=NC(=C2C1=NC=N2)N

Adenine Sulfate Dihydrate 98.0+%, TCI America™

CAS: 6509-19-9 Molecular Formula: C10H16N10O6S Molecular Weight (g/mol): 404.362 MDL Number: MFCD00150149 InChI Key: MKPCNMXYTMQZBE-UHFFFAOYSA-N Synonym: 6-aminopurine sulfate dihydrate, 9h-purin-6-amine hemisulfate dihydrate, adenine hemisulfate dihydrate, bis ade sulfuric acid dihydrate, bis adenine sulfuric acid dihydrate, sulfuric acid bis vitamin b4 dihydrate, sulfuric acid-7h-purin-6-amine-water 1/2/2 PubChem CID: 44134512 IUPAC Name: 7H-purin-6-amine;sulfuric acid;dihydrate SMILES: C1=NC2=C(N1)C(=NC=N2)N.C1=NC2=C(N1)C(=NC=N2)N.O.O.OS(=O)(=O)O

Adenine sulfate, 98+%, Alfa Aesar™

CAS: 321-30-2 Molecular Formula: C10H12N10O4S Molecular Weight (g/mol): 368.332 MDL Number: MFCD00213655 InChI Key: LQXHSCOPYJCOMD-UHFFFAOYSA-N Synonym: 1h-purin-6-amine, sulfate 2:1, 7h-purin-6-amine sulfate 2:1, adenine hemisulfate, adenine sulfate, adenine sulfate 2:1, adeninium sulfate, adeninsulfat, adeninsulfat german, diadenine sulphate, unii-741gjf3k9m PubChem CID: 9449 IUPAC Name: 7H-purin-6-amine;sulfuric acid SMILES: C1=NC2=C(N1)C(=NC=N2)N.C1=NC2=C(N1)C(=NC=N2)N.OS(=O)(=O)O

IBMX, Tocris Bioscience™ Available on GSA/VA Contract for Federal Government customers only.

CAS: 28822-58-4 Molecular Formula: C10H14N4O2 Molecular Weight (g/mol): 222.248 InChI Key: APIXJSLKIYYUKG-UHFFFAOYSA-N Synonym: 1-methyl-3-isobutylxanthine, 1h-purine-2,6-dione, 3,7-dihydro-1-methyl-3-2-methylpropyl, 3-isobutyl-1-methyl-1h-purine-2,6 3h,7h-dione, 3-isobutyl-1-methylxanthine, 3-isobutyl-1-methyxanthine, ibmx, isobutylmethylxanthine, methyl-isobutylxanthine, methylisobutylxanthine, xanthine, 3-isobutyl-1-methyl PubChem CID: 3758 ChEBI: CHEBI:43253 IUPAC Name: 1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione SMILES: CC(C)CN1C2=C(C(=O)N(C1=O)C)NC=N2

Caffeine, BAKER™, J.T.Baker™

CAS: 58-08-2 Molecular Formula: C8H10N4O2 Molecular Weight (g/mol): 194.194 InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N Synonym: 1,3,7-trimethylxanthine, alert-pep, cafeina, caffeine, guaranine, koffein, mateina, methyltheobromine, thein, theine PubChem CID: 2519 ChEBI: CHEBI:27732 IUPAC Name: 1,3,7-trimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)N(C(=O)N2C)C

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