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Merck

539741

PTP1B Inhibitor

≥95% (HPLC), PTP1B inhibitor, solid

Synonym(s):

PTP1B Inhibitor, 3-(3,5-Dibromo-4-hydroxy-benzoyl)-2-ethyl-benzofuran-6-sulfonicacid-(4-(thiazol-2-ylsulfamyl)-phenyl)-amide, PTP Inhibitor XXII

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About This Item

Empirical Formula (Hill Notation):
C26H19Br2N3O7S3
CAS Number:
765317-72-4
Molecular Weight:
741.45
MDL number:
MFCD09037556
UNSPSC Code:
12352200
NACRES:
NA.77

Product Name

PTP1B Inhibitor, PTP1B Inhibitor, CAS 765317-72-4, is a cell-permeable, selective, reversible and non-competitive allosteric inhibitor of PTP1B (IC50 = 4 µM and 8 µM for PTP1B403 and PTP1B298, respectively).

SMILES string

[S](=O)(=O)(Nc5[s]ccn5)c1ccc(cc1)N[S](=O)(=O)c2cc3[o]c(c(c3cc2)C(=O)c4cc(c(c(c4)Br)O)Br)CC

InChI

1S/C26H19Br2N3O7S3/c1-2-21-23(24(32)14-11-19(27)25(33)20(28)12-14)18-8-7-17(13-22(18)38-21)41(36,37)30-15-3-5-16(6-4-15)40(34,35)31-26-29-9-10-39-26/h3-13,30,33H,2H2,1H3,(H,29,31)

InChI key

SXKBTDJJEQQEGE-UHFFFAOYSA-N

assay

≥95% (HPLC)

form

solid

manufacturer/tradename

Calbiochem®

storage condition

OK to freeze
protect from light

color

white

solubility

DMSO: 100 mg/mL
ethanol: 5 mg/mL

shipped in

wet ice

storage temp.

−20°C

Quality Level

100

Related Categories

Biochem/physiol Actions

Cell permeable: yes
Primary Target
PTP1B403
Product does not compete with ATP.
Reversible: yes
Target IC50: 4 µM and 8 µM for PTP1B403 and PTP1B298, respectively

Disclaimer

Toxicity: Standard Handling (A)

General description

A cell-permeable, selective, reversible, and non-competitive allosteric inhibitor of PTP1B (IC50 = 4 µM and 8 µM for PTP1B403 and PTP1B298, respectively). Binds to a novel site away from the catalytic pocket and inhibits PTP1B activity by preventing closure of the WPD loop. Also available in InSolution format (Cat. No. 539749.

Other Notes

Wiesmann, C., et al. 2004. Nat. Struct. Mol. Biol.11, 730.

Packaging

Packaged under inert gas

Preparation Note

Following reconstitution, aliquot and freeze (-20°C). Stock solutions are stable for up to 6 months at -20°C.

Legal Information

CALBIOCHEM is a registered trademark of Merck KGaA, Darmstadt, Germany

Storage Class

11 - Combustible Solids

wgk

WGK 2

flash_point_f

Not applicable

flash_point_c

Not applicable

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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