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NT219

CAT: 0127-BUP04310-06Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP04310-06Size:200 mg
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CAS Number
1198078-60-2
Synonyms
NT-219
Purity
=98%
Smiles
Oc1ccc(\C=C\C(=S)NCc2cc(O)c(O)c(O)c2)c(Br)c1O

Chemical Information

Nt-219

IRS1/IRS2/STAT3 Inhibitor NT219 is an inhibitor of signal transducer and activator of transcription 3 (STAT3) and insulin receptor substrate 1 (IRS1) and 2 (IRS2), with potential antineoplastic activity. Upon administration, the IRS1/IRS2/STAT3 inhibitor NT219 specifically targets and binds to IRS1/2 and STAT3. Inhibiting IRS1/2 prevents IRS1/2-mediated signaling pathways and other tumor survival pathways. Inhibiting STAT3 prevents nuclear translocation of STAT3 and the STAT3-mediated regulation of oncogenes expression. This causes tumor cell apoptosis and inhibits tumor cell proliferation. IRS1/2 and STAT3, oncogenic drivers that are upregulated in a variety of human cancers, play key roles in uncontrolled tumor cell proliferation and tumor resistance.

CAS Number1198078-60-2
PubChem CID135914977
IUPAC Name(E)-3-(2-bromo-3,4-dihydroxyphenyl)-N-[(3,4,5-trihydroxyphenyl)methyl]prop-2-enethioamide
Molecular FormulaC16H14BrNO5S
Molecular Weight412.3
XLogP2.6
Topological Polar Surface Area145
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity454
SMILES
C1=CC(=C(C(=C1/C=C/C(=S)NCC2=CC(=C(C(=C2)O)O)O)Br)O)O
InChI
InChI=1S/C16H14BrNO5S/c17-14-9(1-3-10(19)16(14)23)2-4-13(24)18-7-8-5-11(20)15(22)12(21)6-8/h1-6,19-23H,7H2,(H,18,24)/b4-2+
InChIKey
XDDQKKXXQHUUHJ-DUXPYHPUSA-N
Chemical Structure
2D Structure
2D structure of Nt-219
CAS: 1198078-60-2
CID: 135914977
Formula: C16H14BrNO5S
MW: 412.3
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight412.3
XLogP32.6
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass410.97761
Monoisotopic Mass410.97761
Topological Polar Surface Area145 Ų
Heavy Atom Count24
Formal Charge0
Complexity454
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA6412-10NT219

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