CAS 666816-98-4: 8-Bromo-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-1H-purine-2,6-dione

Description: 8-Bromo-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-1H-purine-2,6-dione, with the CAS number 666816-98-4, is a synthetic organic compound that belongs to the purine class of compounds. It features a purine core structure, which is characterized by a fused double-ring system containing nitrogen atoms. The presence of a bromine atom at the 8-position and a 2-butyn-1-yl substituent at the 7-position contributes to its unique reactivity and potential biological activity. This compound may exhibit properties such as being a potential inhibitor or modulator in biochemical pathways, particularly in relation to nucleic acid metabolism or signaling. Its dihydro form indicates that it may exist in a reduced state, which can influence its stability and reactivity. The methyl group at the 3-position further modifies its electronic properties. Overall, this compound's structural features suggest it could be of interest in medicinal chemistry and pharmacology, particularly for developing new therapeutic agents.

Formula: C₁₀H₉BrN₄O₂

InChI: InChI=1S/C10H9BrN4O2/c1-3-4-5-15-6-7(12-9(15)11)14(2)10(17)13-8(6)16/h5H2,1-2H3,(H,13,16,17)

InChI key: InChIKey=HFZOBQSHTNNKFY-UHFFFAOYSA-N

SMILES: O=C1NC(=O)N(C=2N=C(Br)N(C12)CC#CC)C

Synonyms:

• 1H-Purine-2,6-dione, 8-bromo-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-
• 1H-Purine-2,6-dione, 8-bromo-7-(2-butynyl)-3,7-dihydro-3-methyl-
• 3-Methyl-7-(2-butyn-1-yl)-8-bromoxanthine
• 8-Bromo-7-(2-Butyn-A-Yl)-3,7-Dihydro-3-Methyl-1-1H-Purine-2,6-Dione
• 8-Bromo-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-1H-purine-2,6-dione
• 8-Bromo-7-(2-butyn-1-yl)-3-methylxanthine
• 8-Bromo-7-(2-butynyl)-3,7-dihydro-3-methyl-1H-purine-2,6-dione
• 8-bromo-7-(but-2-yn-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
• 8-bromo-7-(but-2-ynyl)-3-methyl-1H-purine-2,6(3H,7H)-dione

8-Bromo-7-(2-butyn-1-yl)-3-methylxanthine

CAS: 666816-98-4

• Formula: C₁₀H₉BrN₄O₂
• Purity: >98.0%(T)(HPLC)
• Color and Shape: White to Almost white powder to crystal
• Molecular weight: 297.11

3-Methyl-7-(2-butyn-1-yl)-8-bromoxanthine (8-bromo-7-(but-2-yn-1-yl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione)

CAS: 666816-98-4

Compounds containing a pyrimidine ring, whether or not hydrogenated, or piperazine ring in the structure, …

• Formula: C₁₀H₉BrN₄O₂
• Color and Shape: Off-White Solid
• Molecular weight: 295.99089

8-Bromo-7-(but-2-yn-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione

CAS: 666816-98-4

• Formula: C₁₀H₉BrN₄O₂
• Purity: 98%
• Color and Shape: Solid
• Molecular weight: 297.1081

Linagliptin Impurity 42

CAS: 666816-98-4

• Formula: C₁₀H₉BrN₄O₂
• Color and Shape: White To Off-White Solid
• Molecular weight: 297.11

8-Bromo-7-(2-butyn-1-yl)-3-methylxanthine

CAS: 666816-98-4

• Purity: 98%+
• Molecular weight: 297.11g/mol

8-Bromo-7-(but-2-yn-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione

CAS: 666816-98-4

• Purity: 95.0%
• Color and Shape: Solid
• Molecular weight: 297.11199951171875

8-Bromo-3-methyl-7-(2-butynyl)-xanthine

CAS: 666816-98-4

• Formula: C₁₀H₉BrN₄O₂
• Color and Shape: Neat
• Molecular weight: 297.108

8-Bromo-3-methyl-d3-7-(2-butynyl)-xanthine

CAS: 666816-98-4

• Formula: C₁₀H₆D₃BrN₄O₂
• Color and Shape: Neat
• Molecular weight: 300.13

8-Bromo-3-methyl-9-(2-butynyl)-xanthine

CAS: 666816-98-4

• Formula: C₁₀H₉BrN₄O₂
• Color and Shape: Neat
• Molecular weight: 297.11

3-Methyl-7-(2-butyn-1-yl)-8-bromoxanthine

CAS: 666816-98-4

Intermediate in the synthesis of linagliptin

• Formula: C₁₀H₉BrN₄O₂
• Purity: Min. 95%
• Color and Shape: Powder
• Molecular weight: 297.11 g/mol