T5202

TPBM

≥98% (HPLC), solid

• Synonym(s): 8-Benzylsulfanylmethyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione, 8-[(Benzylthio)methyl]theophylline, Theophylline, 8-[(benzylthio)methyl]
• Empirical Formula (Hill Notation): C₁₅H₁₆N₄O₂S
• CAS Number: 6466-43-9
• Molecular Weight: 316.38
• MDL number: MFCD11114397
• UNSPSC Code: 12352200
• PubChem Substance ID: 329826819
• NACRES: NA.77

Properties

• Quality Level: 100
• Assay: ≥98% (HPLC)
• form: solid
• color: white to off-white
• solubility: DMSO: >5 mg/mL
• SMILES string: CN1C(=O)N(C)c2nc(CSCc3ccccc3)[nH]c2C1=O
• 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

Description

Biochem/physiol Actions

TPBM is a potent inhibitor of estrogen receptor α via blocking ERα binding to consensus estrogen response element (cERE) DNA.

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.

Preparation Note

TPBM is soluble in DMSO at a concentration that is greater than 5 mg/ml.

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable