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T4500 Sigma

Theobromine

≥98.0%

Synonym: 2,6-Dihydroxy-3,7-dimethylpurine, 3,7-Dihydro-3,7-dimethyl-1H-purine-2,6-dione, 3,7-Dimethylxanthine

  • CAS Number 83-67-0

  • Empirical Formula (Hill Notation) C7H8N4O2

  • Molecular Weight 180.16

  •  Beilstein Registry Number 16464

  •  EC Number 201-494-2

  •  MDL number MFCD00022830

  •  PubChem Substance ID 24277679

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Properties

Related Categories Alkaloid, Bioactive Small Molecule Alphabetical Index, Bioactive Small Molecules, Cell Biology, Cell Signaling and Neuroscience,
InChI Key   YAPQBXQYLJRXSA-UHFFFAOYSA-N
assay   ≥98.0%
mp   345-350 °C
solubility   H2O: slightly soluble
  aqueous base: moderately soluble
  ethanol: slightly soluble
Gene Information   human ... ADORA1(134), ADORA2A(135), ADORA2B(136), ADORA3(140)
rat ... Adora1(29290)

Description

Biochem/physiol Actions

Phosphosdiesterase inhibitor; weak adenosine receptor antagonist; diuretic; smooth muscle relaxant.

Packaging

25 g in poly bottle

Preparation Note

Theobromine is moderately soluble in aqueous base and is slightly soluble in water and ethanol.

Features and Benefits

This compound is a featured product for Cyclic Nucleotide research. Click here to discover more featured Cyclic Nucleotide products. Learn more about bioactive small molecules for other areas of research at sigma.com/discover-bsm.

This compound is also offered as part of Sigma′s Library of Pharmacologically Active Compounds (LOPAC®1280), a biologically annotated collection of high-quality, ready-to-screen compounds. Click here to learn more.

Legal Information

LOPAC is a registered trademark of Sigma-Aldrich Co. LLC

Price and Availability

Safety & Documentation

Safety Information

Symbol 
GHS07  GHS07
Signal word 
Warning
Hazard statements 
Personal Protective Equipment 
RIDADR 
NONH for all modes of transport
WGK Germany 
1
RTECS 
XH2275000

Documents

Certificate of Analysis

Certificate of Origin

Protocols & Articles

Articles

Antihypertensive Agents

Download BioFiles v7 n5 (3.18 Mb PDF) Back to Pharmaceutical Drugs and Drug Candidates homepage
Sami Barghshoon
BioFiles v7 n5, 2012, 5–20
Keywords: AGE, Antihypertensives, Cardiovascular, Clinical, Diuretics, Pharmaceutical, Reductions

Discover Bioactive Small Molecules for Cyclic Nucleotides

Transmission of an extracellular signal across the cell membrane is initiated by activation of many types of hormone and neurotransmitter receptors, such as G-protein coupled receptors (GPCRs), and c...
Keywords: Antivirals, Cancer, Cardiovascular, Cellular processes, Diabetes, Diseases, Hormones, Neurotransmitters

MSMLS Online Plate Map

Metabolite descriptors included with the software download upon purchase of the product include: Name, Parent CID, molecular formula, molecular weight, CAS, ChEBI, HMDB ID, PubChem Compound and Subst...
Keywords: Mass spectrometry, Metabolites

Peer-Reviewed Papers
15

References

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