CAS 1251924-18-1

3-Bromo-1,4-dihydro-1-methyl-4-oxo-5H-pyrazolo[3,4-d]pyrimidine-5-acetic acid

Description:

3-Bromo-1,4-dihydro-1-methyl-4-oxo-5H-pyrazolo[3,4-d]pyrimidine-5-acetic acid is a heterocyclic compound characterized by its complex structure, which includes a pyrazolo-pyrimidine framework. This compound features a bromine atom, a methyl group, and a carboxylic acid functional group, contributing to its potential reactivity and biological activity. The presence of the 4-oxo group indicates that it may exhibit keto-enol tautomerism, which can influence its chemical behavior. The compound's unique structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to its ability to interact with biological targets. Its solubility and stability in various solvents can vary, impacting its formulation and use in research. Additionally, the presence of the bromine atom may enhance its lipophilicity, affecting its pharmacokinetic properties. Overall, this compound represents a class of pyrazolo-pyrimidines that may have significant implications in drug discovery and development.

Formula: C₈H₇BrN₄O₃

InChI: InChI=1S/C8H7BrN4O3/c1-12-7-5(6(9)11-12)8(16)13(3-10-7)2-4(14)15/h3H,2H2,1H3,(H,14,15)

InChI key: InChIKey=PEFMXYOCMKWEST-UHFFFAOYSA-N

SMILES: O=C1C2=C(N(C)N=C2Br)N=CN1CC(O)=O

Synonyms:

• 3-Bromo-1,4-dihydro-1-methyl-4-oxo-5H-pyrazolo[3,4-d]pyrimidine-5-acetic acid
• 5H-Pyrazolo[3,4-d]pyrimidine-5-acetic acid, 3-bromo-1,4-dihydro-1-methyl-4-oxo-

2-{3-Bromo-1-methyl-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl}acetic acid

CAS: 1251924-18-1

Versatile small molecule scaffold

Formula: C₈H₇BrN₄O₃

Purity: Min. 95%

Molecular weight: 287.07 g/mol

Ref: 3D-BAC92418