Purines and purine derivatives

Adenine, 99.5+%, ACROS Organics™

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 PubChem CID: 190 ChEBI: CHEBI:16708 IUPAC Name: 7H-purin-6-amine SMILES: C1=NC2=C(N1)C(=NC=N2)N

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 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

3-Isobutyl-1-methylxanthine, 99+%, ACROS Organics™

CAS: 28822-58-4 Molecular Formula: C10H14N4O2 Molecular Weight (g/mol): 222.25 MDL Number: MFCD00005584 InChI Key: APIXJSLKIYYUKG-UHFFFAOYSA-N Synonym: 1-methyl-3-isobutylxanthine 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

Alfa Aesar™ 6-Mercaptopurine monohydrate, 98%

CAS: 6112-76-1 Molecular Formula: C5H6N4OS Molecular Weight (g/mol): 170.19 MDL Number: MFCD03854445 InChI Key: WFFQYWAAEWLHJC-UHFFFAOYSA-N Synonym: 1,7-dihydro-6h-purine-6-thione monohydrate PubChem CID: 2724350 ChEBI: CHEBI:31822 IUPAC Name: 3,7-dihydropurine-6-thione;hydrate SMILES: C1=NC2=C(N1)C(=S)N=CN2.O

1-Methyladenine, 98+%, ACROS Organics™

CAS: 5142-22-3 Molecular Formula: C6H7N5 Molecular Weight (g/mol): 149.15 MDL Number: MFCD00010532 InChI Key: HPZMWTNATZPBIH-UHFFFAOYSA-N Synonym: 1-methyl-1h-purin-6-amine PubChem CID: 78821 ChEBI: CHEBI:18083 IUPAC Name: 1-methylpurin-6-amine SMILES: CN1C=NC2=NC=NC2=C1N

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 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 Sulfate Dihydrate, >97%, Affymetrix/USB™

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 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

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 PubChem CID: 190 ChEBI: CHEBI:16708 IUPAC Name: 7H-purin-6-amine SMILES: C1=NC2=C(N1)C(=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 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-Fluoroadenine, 97%, Acros Organics™

CAS: 700-49-2 Molecular Formula: C5H4FN5 Molecular Weight (g/mol): 153.12 InChI Key: WKMPTBDYDNUJLF-UHFFFAOYSA-N Synonym: 1h-purin-6-amine, 2-fluoro PubChem CID: 12790 ChEBI: CHEBI:72457 IUPAC Name: 2-fluoro-7H-purin-6-amine SMILES: C1=NC2=C(N1)C(=NC(=N2)F)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 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 sulfate, 98%, synthetic, ACROS Organics™

CAS: 321-30-2 Molecular Formula: 0·5 H2O4S Molecular Weight (g/mol): 184.17 MDL Number: MFCD00213655 InChI Key: LQXHSCOPYJCOMD-UHFFFAOYSA-N Synonym: 1h-purin-6-amine, sulfate 2:1 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

Caffeine, 98.5%, USP/BP, ACROS Organics™

CAS: 58-08-2 Molecular Formula: C8H10N4O2 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00005758 InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N Synonym: 1,3,7-trimethylxanthine 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

Tenofovir disoproxil fumarate, 98%, Acros Organics™

CAS: 202138-50-9 Molecular Formula: C23H34N5O14P Molecular Weight (g/mol): 635.52 InChI Key: VCMJCVGFSROFHV-WZGZYPNHSA-N Synonym: 9-r-2-bis isopropoxycarbonyl oxy methoxy phosphinyl methoxy propyl adenine fumarate PubChem CID: 6398764 ChEBI: CHEBI:63718 IUPAC Name: [[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;(E)-but-2-enedioic acid SMILES: CC(C)OC(=O)OCOP(=O)(COC(C)CN1C=NC2=C1N=CN=C2N)OCOC(=O)OC(C)C.C(=CC(=O)O)C(=O)O

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 PubChem CID: 1188 ChEBI: CHEBI:17712 IUPAC Name: 3,7-dihydropurine-2,6-dione SMILES: C1=NC2=C(N1)C(=O)NC(=O)N2

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 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

AZ 3146, Tocris Bioscience™ Available on GSA/VA Contract for Federal Government customers only.

CAS: 1124329-14-1 Molecular Formula: C24H32N6O3 Molecular Weight (g/mol): 452.559 InChI Key: YUKWVHPTFRQHMF-UHFFFAOYSA-N Synonym: 8h-purin-8-one, 9-cyclopentyl-7,9-dihydro-2-2-methoxy-4-1-methyl-4-piperidinyl oxy phenyl amino-7-methyl PubChem CID: 56973724 IUPAC Name: 9-cyclopentyl-2-[2-methoxy-4-(1-methylpiperidin-4-yl)oxyanilino]-7-methylpurin-8-one SMILES: CN1CCC(CC1)OC2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C(=O)N4C)C5CCCC5)OC

Theobromine, 99%, ACROS Organics™

CAS: 83-67-0 Molecular Formula: C7H8N4O2 Molecular Weight (g/mol): 180.17 MDL Number: MFCD00022830 InChI Key: YAPQBXQYLJRXSA-UHFFFAOYSA-N Synonym: 3,7-dimethylxanthine PubChem CID: 5429 ChEBI: CHEBI:28946 IUPAC Name: 3,7-dimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)NC(=O)N2C

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

CAS: 50-44-2 Molecular Formula: C5H4N4S Molecular Weight (g/mol): 152.175 InChI Key: GLVAUDGFNGKCSF-UHFFFAOYSA-N Synonym: 6-mercaptopurine PubChem CID: 667490 ChEBI: CHEBI:2208 IUPAC Name: 3,7-dihydropurine-6-thione SMILES: C1=NC2=C(N1)C(=S)N=CN2

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

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

CAS: 81408-49-3 Molecular Formula: C14H24ClN5O Molecular Weight (g/mol): 313.83 InChI Key: VVDXNJRUNJMYOZ-DHXVBOOMSA-N Synonym: 2r,3s-3-adenin-9-yl-2-nonanol hydrochloride PubChem CID: 11957547 ChEBI: CHEBI:64139 IUPAC Name: (2R,3S)-3-(6-aminopurin-9-yl)nonan-2-ol;hydrochloride SMILES: CCCCCCC(C(C)O)N1C=NC2=C1N=CN=C2N.Cl

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 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

Alfa Aesar™ Adenine hydrochloride, 98+%, cont. up to ca 5% water

CAS: 2922-28-3 Molecular Formula: C5H6ClN5 Molecular Weight (g/mol): 171.588 MDL Number: MFCD00150864 InChI Key: UQVDQSWZQXDUJB-UHFFFAOYSA-N Synonym: 1h-purin-6-amine, hydrochloride PubChem CID: 76219 IUPAC Name: 7H-purin-6-amine;hydrochloride SMILES: C1=NC2=C(N1)C(=NC=N2)N.Cl

PSB 1115, Tocris Bioscience™ Available on GSA/VA Contract for Federal Government customers only.

CAS: 152529-79-8 Molecular Formula: C14H14N4O5S Molecular Weight (g/mol): 350.349 InChI Key: UYDRRQPGDSIMNU-UHFFFAOYSA-N Synonym: 1-propyl-8-p-sulfophenyl xanthine PubChem CID: 5311479 IUPAC Name: 4-(2,6-dioxo-1-propyl-3,7-dihydropurin-8-yl)benzenesulfonic acid SMILES: CCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)S(=O)(=O)O

Alfa Aesar™ 3-Isobutyl-1-methylxanthine

CAS: 28822-58-4 Molecular Formula: C10H14N4O2 Molecular Weight (g/mol): 222.248 MDL Number: MFCD00005584 InChI Key: APIXJSLKIYYUKG-UHFFFAOYSA-N Synonym: 1-methyl-3-isobutylxanthine 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

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-methyladenine, 3-methyl-3h-purin-6-amine, 6-amino-3-methylpurine, 3-ma, 3h-purin-6-amine, 3-methyl, 3-methyl-3h-adenine, n3-methyladenine, adenine, 3-methyl, 3-methyl-3h-purin-6-ylamine, 3-methyladenine 3-ma PubChem CID: 1673 ChEBI: CHEBI:38635 IUPAC Name: 3-methylpurin-6-amine SMILES: CN1C=NC(=C2C1=NC=N2)N

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

CAS: 220792-57-4 Molecular Formula: C19H26ClN7O Molecular Weight (g/mol): 403.915 InChI Key: RAMROQQYRRQPDL-UHFFFAOYSA-N Synonym: aminopurvalanol a and ng-97 PubChem CID: 9549304 IUPAC Name: 2-[[6-(3-amino-5-chloroanilino)-9-propan-2-ylpurin-2-yl]amino]-3-methylbutan-1-ol SMILES: CC(C)C(CO)NC1=NC2=C(C(=N1)NC3=CC(=CC(=C3)N)Cl)N=CN2C(C)C

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