CAS 4921-55-5

8-Chloro-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione

Description:

8-Chloro-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione, commonly known as theophylline derivative, is a purine derivative with notable pharmacological properties. This compound features a chlorine atom at the 8-position and two methyl groups at the 3 and 7 positions of the purine ring, contributing to its unique chemical behavior. It is a white to off-white crystalline solid that is soluble in water and organic solvents, making it suitable for various applications in medicinal chemistry. The presence of the chlorine atom enhances its biological activity, particularly as a bronchodilator and anti-inflammatory agent, often utilized in the treatment of respiratory diseases such as asthma and chronic obstructive pulmonary disease (COPD). The compound's structure allows it to interact with adenosine receptors and phosphodiesterase enzymes, influencing cellular signaling pathways. Additionally, it exhibits a moderate half-life, necessitating careful dosing in therapeutic contexts. Overall, 8-Chloro-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione is an important compound in pharmacology with significant implications for respiratory health.

Formula: C₇H₇ClN₄O₂

InChI: InChI=1S/C7H7ClN4O2/c1-11-3-4(9-6(11)8)12(2)7(14)10-5(3)13/h1-2H3,(H,10,13,14)

InChI key: InChIKey=VCVIDOJQNAGADO-UHFFFAOYSA-N

SMILES: CN1C2=C(N(C)C(Cl)=N2)C(=O)NC1=O

Synonyms:

• Theobromine, 8-chloro-
• 1H-Purine-2,6-dione, 8-chloro-3,7-dihydro-3,7-dimethyl-
• 8-Chlorotheobromine
• 8-Chloro-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione

8-Chloro-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

Controlled Product

CAS: 4921-55-5

Versatile small molecule scaffold

Formula: C₇H₇ClN₄O₂

Purity: Min. 95%

Molecular weight: 214.61 g/mol

Ref: 3D-EAA92155