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JI130

CAT: 0931-T9588-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T9588-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2234271-86-2
Target
Others, Gamma-secretase
Related Pathways
Proteases/Proteasome, Others, Stem Cells, Neuroscience
Purity
0.9961
Bioactivity
JI130 is able to impair the ability of Hes1 to repress transcription. JI130 treatment significantly reduced tumor volume in a murine pancreatic tumor xenograft model.
Smiles
C(=C/C(NCCC1=C(OCC=C)C=CC=C1)=O)\C=2C=3C(=C(OC)C=CC3)NC2
Molecular Formula
C23H24N2O3
Molecular Weight
376.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CID 154730572
CAS Number2234271-86-2
PubChem CID154730572
IUPAC Name(E)-3-(7-methoxy-1H-indol-3-yl)-N-[2-(2-prop-2-enoxyphenyl)ethyl]prop-2-enamide
Molecular FormulaC23H24N2O3
Molecular Weight376.4
XLogP4.3
Topological Polar Surface Area63.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Heavy Atom Count28
Formal Charge0
Complexity536
SMILES
COC1=CC=CC2=C1NC=C2/C=C/C(=O)NCCC3=CC=CC=C3OCC=C
InChI
InChI=1S/C23H24N2O3/c1-3-15-28-20-9-5-4-7-17(20)13-14-24-22(26)12-11-18-16-25-23-19(18)8-6-10-21(23)27-2/h3-12,16,25H,1,13-15H2,2H3,(H,24,26)/b12-11+
InChIKey
BNTYDBBGNPFECO-VAWYXSNFSA-N
Chemical Structure
2D Structure
2D structure of CID 154730572
CAS: 2234271-86-2
CID: 154730572
Formula: C23H24N2O3
MW: 376.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight376.4
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Exact Mass376.17869263
Monoisotopic Mass376.17869263
Topological Polar Surface Area63.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity536
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
MBS5786437JI130

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