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WP1193

CAT: 0013-GTR19211627-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19211627-01Size:25 mg
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Description
WP1193 is a small molecule inhibitor that selectively targets the JAK2/STAT3 signaling pathway. It is utilized in both in vitro and in vivo research to investigate oncology, immunology, and inflammatory diseases where this pathway is implicated.
CAS Number
951693-87-1
Smiles
[C@H] (NC (/C (=C/C=1N=C (Br) C=CC1) /C#N) =O) (C2CC2) C3=CC=CC=C3
Molecular Formula
C19H16BrN3O
Molecular Weight
382.25
Storage Conditions
-20°C
Notes
For research use only.

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...
View on PubChemRaw 3D data
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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