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WP1193

CAT: 0804-HY-129341Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-129341Size:1 Each
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Description
WP1193 is a novel JAK2/STAT3 pathway inhibitor. WP1193 suppresses phosphorylation of JAK2 and STAT3. WP1193 decreases expression of stem cell markers including CD133 and c-myc. WP1193 can be used in the research of glioblastoma[1].
CAS Number
951693-87-1
UNSPSC
12352005
Target
C-Myc; JAK; STAT
Related Pathways
Apoptosis; Epigenetics; JAK/STAT Signaling; Protein Tyrosine Kinase/RTK; Stem Cell/Wnt
Field of Research
Cancer; Neurological Disease
Smiles
O=C(N[C@@H](C1CC1)C2=CC=CC=C2)/C(C#N)=C/C3=NC(Br)=CC=C3
Molecular Formula
C19H16BrN3O
Molecular Weight
382.25
References & Citations
[1]Sai K, et al. Induction of cell-cycle arrest and apoptosis in glioblastoma stem-like cells by WP1193, a novel small molecule inhibitor of the JAK2/STAT3 pathway. J Neurooncol. 2012 May;107 (3) :487-501.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
JAK2; STAT3

Chemical Information

(S,E)-3-(6-Bromopyridin-2-yl)-2-cyano-N-(cyclopropyl(phenyl)methyl)acrylamide
CAS Number951693-87-1
PubChem CID24768690
IUPAC Name(E)-3-(6-bromo-2-pyridinyl)-2-cyano-N-[(S)-cyclopropyl(phenyl)methyl]prop-2-enamide
Molecular FormulaC19H16BrN3O
Molecular Weight382.3
XLogP3.8
Topological Polar Surface Area65.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity528
SMILES
C1CC1[C@@H](C2=CC=CC=C2)NC(=O)/C(=C/C3=NC(=CC=C3)Br)/C#N
InChI
InChI=1S/C19H16BrN3O/c20-17-8-4-7-16(22-17)11-15(12-21)19(24)23-18(14-9-10-14)13-5-2-1-3-6-13/h1-8,11,14,18H,9-10H2,(H,23,24)/b15-11+/t18-/m1/s1
InChIKey
TZISYUGHDFOMLF-HAZIXKIPSA-N
Chemical Structure
2D Structure
2D structure of (S,E)-3-(6-Bromopyridin-2-yl)-2-cyano-N-(cyclopropyl(phenyl)methyl)acrylamide
CAS: 951693-87-1
CID: 24768690
Formula: C19H16BrN3O
MW: 382.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight382.3
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass381.04767
Monoisotopic Mass381.04767
Topological Polar Surface Area65.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity528
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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