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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]

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Size/SKUAvailabilityPrice
5 mg
Please contact Customer Service for Availability
$243.00
25 mg
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$774.00

About This Item

Empirical Formula (Hill Notation):
C15H16N4O2S
CAS Number:
6466-43-9
Molecular Weight:
316.38
NACRES:
NA.77
PubChem Substance ID:
329826819
UNSPSC Code:
12352200
MDL number:
MFCD11114397
Assay:
≥98% (HPLC)
Form:
solid

$243.00

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Quality Segment

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

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.

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This Item
T1633D0633A1755
TPBM ≥98% (HPLC), solid

Sigma-Aldrich

T5202

TPBM

Theophylline anhydrous, ≥99%, powder

Sigma-Aldrich

T1633

Theophylline

7-(2,3-Dihydroxypropyl)theophylline

Sigma-Aldrich

D0633

7-(2,3-Dihydroxypropyl)theophylline

Aminophylline ≥98%, powder

Sigma-Aldrich

A1755

Aminophylline

form

solid

form

powder

form

powder

form

powder

assay

≥98% (HPLC)

assay

≥99%

assay

-

assay

≥98%

Quality Level

100

Quality Level

200

Quality Level

200

Quality Level

100

solubility

DMSO: >5 mg/mL

solubility

H2O: slightly soluble 8.3 mg/ml, NH4OH: 50 mg/ml, clear, colorless, alcohol: 12.5 mg/ml, chloroform: soluble 9.1 mg/ml, 0.1 M HCl: soluble, 0.1 M NaOH: soluble, ammonium hydroxide: soluble, aqueous base: soluble, diethyl ether: slightly soluble, dilute HCl: soluble, dilute nitric acid: soluble, ethanol: moderately soluble

solubility

-

solubility

H2O: 50 mg/mL (solutions should be freshly prepared.), alcohol: insoluble

color

white to off-white

color

white

color

-

color

white to off-white

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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