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CCT018159

CAT: 0931-T21872-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T21872-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
171009-07-7
Target
Apoptosis, HSP
Related Pathways
Metabolism, Apoptosis, Cytoskeletal Signaling
Purity
0.9979
Bioactivity
CCT018159 is a 3,4-diarylpyrazole resorcinol, an ATP-competitive HSP90ATPase inhibitor that inhibits human Hsp90β and yeast Hsp90 with IC50s of 3.2 and 6.6 μM, respectively.CCT018159 inhibits key endothelial and tumor cell functions associated with invasion and angiogenesis. CCT018159 caused cellular inhibition associated with G1 phase block and induced apoptosis.
Smiles
CC1=C(C(=NN1)C2=CC(CC)=C(O)C=C2O)C=3C=C4C(=CC3)OCCO4
Molecular Formula
C20H20N2O4
Molecular Weight
352.38
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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