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Merck

385920

HSP90 Inhibitor, CCT018159

The HSP90 Inhibitor, CCT018159, also referenced under CAS 171009-07-7, controls the biological activity of HSP90.

Synonym(s):

HSP90 Inhibitor, CCT018159, 4-(4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-pyrazol-3-yl)-6-ethylresorcinol

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About This Item

Empirical Formula (Hill Notation):
C20H20N2O4
CAS Number:
171009-07-7
Molecular Weight:
352.38
MDL number:
MFCD00710300
UNSPSC Code:
12352200
NACRES:
NA.77
Assay:
≥98% (HPLC)
Form:
solid
Quality level:
100
Storage condition:
OK to freeze
protect from light

Key Documents

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Product Name

HSP90 Inhibitor, CCT018159, The HSP90 Inhibitor, CCT018159, also referenced under CAS 171009-07-7, controls the biological activity of HSP90.

SMILES string

[nH]1nc(c(c1C)c3cc4c(cc3)OCCO4)c2c(cc(c(c2)CC)O)O

InChI

1S/C20H20N2O4/c1-3-12-8-14(16(24)10-15(12)23)20-19(11(2)21-22-20)13-4-5-17-18(9-13)26-7-6-25-17/h4-5,8-10,23-24H,3,6-7H2,1-2H3,(H,21,22)

InChI key

OWPMENVYXDJDOW-UHFFFAOYSA-N

assay

≥98% (HPLC)

form

solid

manufacturer/tradename

Calbiochem®

storage condition

OK to freeze
protect from light

color

white

solubility

water: 1.7 mg/mL
DMSO: 35 mg/mL
ethanol: 35 mg/mL

shipped in

ambient

storage temp.

−20°C

Quality Level

100

Related Categories

Disclaimer

Toxicity: Irritant (B)

General description

A cell-permeable pyrazoloresorcinol compound that inhibits HSP90 ATPase activity (IC50 = 3.2 µM and 6.6 µM against human HSP90β and yeast HSP90, respectively) by targeting the enzyme′s N-terminal ATP binding site. It exhibits no detectable effects against human Hsp70 or topoisomerase II even at concentrations as high as 100 µM and inhibits a panel of 20 commonly studied kinases only at much higher concentrations. Unlike 17-AAG (Cat. No. 100068), the antitumor activity of CCT018159 is not affected by the expression of NQ01/DT-diaphorase or P-glycoprotein.

Other Notes

Hardcastle, A., et al. 2007. Mol. Cancer Ther.6, 1112.
Sharp, S.Y., et al. 2007. Cancer Res.67, 2206.
Smith, N.F., et al. 2006. Mol. Cancer Ther.5, 1628.
Dymock, B.W., et al. 2005. J. Med. Chem.48, 4212.
Cheung, K.M., et al. 2005. Bioorg. Med. Chem. Lett.15, 3338.

Packaging

Packaged under inert gas

Preparation Note

Following reconstitution, aliquot and freeze (-20°C). Stock solution are stable for up to 3 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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