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CCT018159

CAT: 0013-GTR19157965-07Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19157965-07Size:50 mg
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Description
The heat shock protein 90 (Hsp90) is a molecular chaperone that activates and maintains the biological functioning of several client proteins, many of which are associated with oncogenic signaling pathways. Its activity is driven by ATP and regulated by co-chaperones such as Hsp72. CCT018159 is a 3,4-diaryl pyrazoloresorcinol compound that inhibits the ATPase activity of Hsp90 with IC50 values of 3.2 and 6.6 μM for human Hsp90β and yeast Hsp90, respectively.At concentrations up to 100 μM, CCT018159 does not inhibit human Hsp72 ATPase or topoisomerase II, yet at 50 μM CCT018159 inhibits 13 out of a panel of 20 commonly studied kinases.
CAS Number
171009-07-7
Purity
>98% (HPLC)
Solubility
DMSO: 30 mg/ml
Smiles
CCc1cc (c (O) cc1O) c1n[nH]c (C) c1c1ccc2OCCOc2c1
Molecular Formula
C20H20N2O4
Molecular Weight
352.4
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
4-[4- (2,3-dihydo-1,4-benzodioxin-6-yl) -5-methyl-1H-pyrazol-3-yl]-6-ethyl-1,3-benzenediol

Chemical Information

Cct-018159

CCT-018159 is a member of the class of pyrazoles that is 1H-pyrazole carrying 1,4-benzodioxane-6-yl and 5-ethyl-2,4-dihydroxyphenyl substituents at positions 4 and 5 respectively. It has a role as an antineoplastic agent, a Hsp90 inhibitor and an apoptosis inducer. It is a member of pyrazoles, a member of resorcinols and a benzodioxine.

CAS Number171009-07-7
PubChem CID984170
IUPAC Name4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-pyrazol-3-yl]-6-ethylbenzene-1,3-diol
Molecular FormulaC20H20N2O4
Molecular Weight352.4
XLogP3.7
Topological Polar Surface Area87.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity479
SMILES
CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=CC4=C(C=C3)OCCO4)C
InChI
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)
InChIKey
OWPMENVYXDJDOW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cct-018159
CAS: 171009-07-7
CID: 984170
Formula: C20H20N2O4
MW: 352.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight352.4
XLogP33.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass352.14230712
Monoisotopic Mass352.14230712
Topological Polar Surface Area87.6 Ų
Heavy Atom Count26
Formal Charge0
Complexity479
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5802284CCT018159
WGA00907-01HSP90 Inhibitor, CCT018159

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