Synonym: 8-Benzylsulfanylmethyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione; 8-[(Benzylthio)methyl]theophylline; Theophylline, 8-[(benzylthio)methyl]
CAS Number: 6466-43-9
Empirical Formula (Hill Notation): C15H16N4O2S
Molecular Weight: 316.38
MDL Number: MFCD11114397
Linear Formula: C15H16N4O2S
Product Type: Chemical
| assay |
≥98% (HPLC) |
| color |
white to off-white |
| form |
solid |
| InChI |
1S/C15H16N4O2S/c1-18-13-12(14(20)19(2)15(18)21)16-11(17-13)9-22-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,16,17) |
| InChI key |
FEHAMBYTUPDFJE-UHFFFAOYSA-N |
| Quality Level |
100  |
| SMILES string |
CN1C(=O)N(C)c2nc(CSCc3ccccc3)[nH]c2C1=O |
| solubility |
DMSO: >5 mg/mL |
| Biochem/physiol Actions: |
TPBM is a potent inhibitor of estrogen receptor α via blocking ERα binding to consensus estrogen response element (cERE) DNA. Estrogen receptor α (ERα) plays an important role in several human cancers. Current ERα antagonists bind in the receptor ligand binding pocket and compete for binding with estrogenic ligands. TPBM instead inhibits ERα via binding to consensus estrogen response element (cERE) DNA. TPBM is not toxic to cells and does not effect estrogen-independent cell growth. TPBM does not act by chelating the zinc in ERs zinc fingers and differs from known ERα inhibitors. |
| Features and Benefits: |
This compound is featured on the Nuclear Receptors (Steroids) page of the Handbook of Receptor Classification and Signal Transduction. To browse other handbook pages, click here . |
| Packaging: |
5, 25 mg in glass bottle |
| Preparation Note: |
TPBM is soluble in DMSO at a concentration that is greater than 5 mg/ml. |
| RIDADR |
NONH for all modes of transport |
| WGK Germany |
WGK 3 |
| Flash Point(F) |
Not applicable |
| Flash Point(C) |
Not applicable |
| Purity |
≥98% (HPLC) |
| UNSPSC |
12352200 |
