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: 222,2438

Pharmacophore Features:

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

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Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

CCRIS (Chemical Carcinogenesis Research Information System)

CTD (Comparative Toxicogenomics Database)

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.

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