Products for Research Use Only

CT1-3

CAT: 0013-GTR19185759-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19185759-03Size:100 mg
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Description
CT1-3 is a research compound that promotes mitochondrial apoptosis via the JNK/Bcl-2/Bax/XIAP pathway and inhibits EMT by modulating the E-cadherin/Snail axis in human cancer cells. It demonstrates anti-tumor efficacy in murine models with no significant hepatorenal toxicity, supporting its study in oncology and apoptosis research.
CAS Number
2460738-32-1
Field of Research
Cell Biology, Signal Transduction
Smiles
O (CCS (CCCCN=C=S) =O) C1=C (C=C (CC=C) C=C1) C2=CC (CC=C) =CC=C2O
Molecular Formula
C25H29NO3S2
Molecular Weight
455.63
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-[2-[2-(4-Isothiocyanatobutylsulfinyl)ethoxy]-5-prop-2-enylphenyl]-4-prop-2-enylphenol
CAS Number2460738-32-1
PubChem CID156548454
IUPAC Name2-[2-[2-(4-isothiocyanatobutylsulfinyl)ethoxy]-5-prop-2-enylphenyl]-4-prop-2-enylphenol
Molecular FormulaC25H29NO3S2
Molecular Weight455.6
XLogP6.4
Topological Polar Surface Area110
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count14
Heavy Atom Count31
Formal Charge0
Complexity620
SMILES
C=CCC1=CC(=C(C=C1)O)C2=C(C=CC(=C2)CC=C)OCCS(=O)CCCCN=C=S
InChI
InChI=1S/C25H29NO3S2/c1-3-7-20-9-11-24(27)22(17-20)23-18-21(8-4-2)10-12-25(23)29-14-16-31(28)15-6-5-13-26-19-30/h3-4,9-12,17-18,27H,1-2,5-8,13-16H2
InChIKey
DCYRFSQCNZBYOA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[2-[2-(4-Isothiocyanatobutylsulfinyl)ethoxy]-5-prop-2-enylphenyl]-4-prop-2-enylphenol
CAS: 2460738-32-1
CID: 156548454
Formula: C25H29NO3S2
MW: 455.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight455.6
XLogP36.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count14
Exact Mass455.15888613
Monoisotopic Mass455.15888613
Topological Polar Surface Area110 Ų
Heavy Atom Count31
Formal Charge0
Complexity620
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes