isobutylmethylxanthine

Synonyms: "1-methyl-3-isobutylxanthine", "IBMX", "3-isobutyl-1-methylxanthine", "methylisobutylxanthine", "methyl-isobutylxanthine"

Source: isobutylmethylxanthine (IBMX) is a nonspecific inhibitor of phosphodiesterase (PDE) that may enhance the intracellular cAMP levels.

Identifiers:

IUPAC Name: 1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione
CAS Number: 28822-58-4
PubChem ID: 3758
InChiKey: APIXJSLKIYYUKG-UHFFFAOYSA-N
Canonical SMILES: CC(C)CN1C2=C(C(=O)N(C1=O)C)NC=N2

Structural Properties:

Molecular Formula: C₁₀H₁₄N₄O₂
Molecular Weight: 222.244

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 3
Number of atoms different from hydrogen: 16

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Sanderson JT, Boerma J, Lansbergen GW, van den Berg M. 2002. Induction and inhibition of aromatase (CYP19) activity by various classes of pesticides in H295R human adrenocortical carcinoma cells. Toxicol Appl Pharmacol 182(1):44-54.