Products for Research Use Only

PX-12

CAT: 0013-GTR19163284-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19163284-02Size:5 mg
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Description
PX-12 (IV-2) is an irreversible inhibitor of Thioredoxin-1 (Trx-1) currently in clinical development as an antitumor agent; IC50=7 uM in Hela, MTT assay, 72 h. (In Vitro) :PX-12 inhibits the growth of MCF-7 and HT-29 cells with IC50 values of 1.9 and 2.9 μM, respectively. PX-12 particularly reduces the activity of Trx-1 by means of thio-alkylating critical cysteine residue (Cys73) which is located in the outside the conserved redox catalytic site of Trx-1. PX-12 affects the oxidation state of thiols in a number of cell surface proteins. Key surface receptors for platelet adhesion and activation are affected, including the collagen receptor GPVI and the von Willebrand factor receptor, GPIb. PX-12 inhibits thrombus formation over Type I collagen in whole blood under flow conditions. Thioredoxin-1 (Trx-1) is a cellular redox protein that promotes tumor growth, inhibits apoptosis, and up-regulates hypoxia-inducible factor-1α and vascular endothelial growth factor. PX-12 inhibits the growth of colorectal cancer DLD-1 and SW620 cells in a dose- and time-dependent manner. PX-12 reduces cell colony formation and induced a G2/M phase arrest of the cell cycle. PX-12 treatment induces apoptosis. PX-12 inhibits colorectal cancer cell migration and invasion. Treatment of cancer cells with PX-12 reduces NOX1, CDH17 and S100A4 mRNA expression, and increases KLF17 mRNA expression. PX-12 decreases S100A4 protein expression in the colorectal cancer cells. (In Vivo) :PX-12 has been shown to have in vivo antitumor activity against human tumor xenografts including HT-29 colon cancer in SCID mice and has been tested in a phase I clinical trial in patients.
CAS Number
141400-58-0
Product Name Alternative
PX12 | PX 12 | PX-12.
Purity
>98% (HPLC)
Solubility
DMSO: 100 mM
Smiles
CCC (SSC1=NC=CN1) C
Molecular Formula
C7H12N2S2
Molecular Weight
188.32
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
2- (sec-butyldisulfanyl) -1H-imidazole.

Chemical Information

Px-12

2-(butan-2-yldisulfanyl)-1H-imidazole is a member of imidazoles.

CAS Number141400-58-0
PubChem CID219104
IUPAC Name2-(butan-2-yldisulfanyl)-1H-imidazole
Molecular FormulaC7H12N2S2
Molecular Weight188.3
XLogP2.3
Topological Polar Surface Area79.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count11
Formal Charge0
Complexity111
SMILES
CCC(C)SSC1=NC=CN1
InChI
InChI=1S/C7H12N2S2/c1-3-6(2)10-11-7-8-4-5-9-7/h4-6H,3H2,1-2H3,(H,8,9)
InChIKey
BPBPYQWMFCTCNG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Px-12
CAS: 141400-58-0
CID: 219104
Formula: C7H12N2S2
MW: 188.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight188.3
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass188.04419074
Monoisotopic Mass188.04419074
Topological Polar Surface Area79.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity111
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

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