Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1-Methyl-3-isobutylxanthine
RN: 28822-58-4
UNII: TBT296U68M
InChIKey: APIXJSLKIYYUKG-UHFFFAOYSA-N

Note

  • A potent cyclic nucleotide phosphodiesterase inhibitor; due to this action, the compound increases cyclic AMP and cyclic GMP in tissue and thereby activates CYCLIC NUCLEOTIDE-REGULATED PROTEIN KINASES

Molecular Formula

  • C10-H14-N4-O2

Molecular Weight

  • 222.2466
 

Classification Codes

  • Enzyme Inhibitors
  • Mutation Data
  • Phosphodiesterase Inhibitors
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 1-Methyl-3-isobutylxanthine

MeSH Heading

  • 1-Methyl-3-isobutylxanthine

Synonyms

  • 1-Methyl-3-isobutylxanthine
  • 1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-3-(2-methylpropyl)-
  • 3-Isobutyl 1-methylxanthine
  • 3-Isobutyl-1-methylxanthine
  • CCRIS 4290
  • EINECS 249-259-3
  • IBMX
  • Isobutylmethylxanthine
  • Methyl-isobutylxanthine
  • NSC 165960
  • UNII-TBT296U68M
  • Xanthine, 3-isobutyl-1-methyl-

Systematic Names

  • 1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-3-(2-methylpropyl)-
  • 3,7-Dihydro-3-isobutyl-1-methyl-1H-purine-2,6-dione
  • 3-Isobutyl-1-methylxanthine
  • Xanthine, 3-isobutyl-1-methyl-

Registry Numbers

CAS Registry Number

  • 28822-58-4

FDA UNII

  • TBT296U68M

System Generated Number

  • 0028822584

Structure Descriptors

InChI

1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)

InChIKey

APIXJSLKIYYUKG-UHFFFAOYSA-N

Smiles

CC(C)Cn1c2c(c(=O)n(c1=O)C)[nH]cn2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 44mg/kg (44mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 25, Pg. 653, 1990.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 200-201 deg C   EXP
log P (octanol-water) 1.15 (none)   EXP
Water Solubility 3490 mg/L 25 EST
Vapor Pressure 7.25E-10 mm Hg 25 EST
Henry's Law Constant 3.92E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.62E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.