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HP590

CAT: 0931-T64182-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T64182-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2971855-37-3
Target
Others, STAT, Apoptosis
Related Pathways
Apoptosis, Others, Stem Cells, JAK/STAT signaling
Bioactivity
HP590 is a novel, potent, orally active STAT3 inhibitor (STAT3 luciferase activity: IC50=27.8 nM; ATP inhibition: IC50=24.7 nM) . HP590 has an anti-proliferative effect on gastric cancer cells and induces apoptosis.
Smiles
O=C(N1CCN(CC2=CC=C(OCC(F)(F)F)C=C2)CC1)C3=CC=C(C4=NC(C5=CC=C(C(F)(F)F)C=C5)=NO4)C=C3
Molecular Formula
C29H24F6N4O3
Molecular Weight
590.52
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

[4-[[4-(2,2,2-Trifluoroethoxy)phenyl]methyl]piperazin-1-yl]-[4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]methanone
CAS Number2971855-37-3
PubChem CID165413048
IUPAC Name[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]-[4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]methanone
Molecular FormulaC29H24F6N4O3
Molecular Weight590.5
XLogP6.2
Topological Polar Surface Area71.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Heavy Atom Count42
Formal Charge0
Complexity860
SMILES
C1CN(CCN1CC2=CC=C(C=C2)OCC(F)(F)F)C(=O)C3=CC=C(C=C3)C4=NC(=NO4)C5=CC=C(C=C5)C(F)(F)F
InChI
InChI=1S/C29H24F6N4O3/c30-28(31,32)18-41-24-11-1-19(2-12-24)17-38-13-15-39(16-14-38)27(40)22-5-3-21(4-6-22)26-36-25(37-42-26)20-7-9-23(10-8-20)29(33,34)35/h1-12H,13-18H2
InChIKey
VFBJWQHKJOGQRX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [4-[[4-(2,2,2-Trifluoroethoxy)phenyl]methyl]piperazin-1-yl]-[4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]methanone
CAS: 2971855-37-3
CID: 165413048
Formula: C29H24F6N4O3
MW: 590.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight590.5
XLogP36.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Exact Mass590.17525961
Monoisotopic Mass590.17525961
Topological Polar Surface Area71.7 Ų
Heavy Atom Count42
Formal Charge0
Complexity860
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
BA2967-10HP590

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