| Identification | Back Directory | [Name]
2-[[4-[[[4-(tert-Butyl)phenyl]sulfonyl]imino]-1-oxo-1,4-dihydro-2-naphthyl]thio]acetic Acid | [CAS]
881487-77-0 | [Synonyms]
KPT-6566
KPT 6566;KPT6566;881487-77-0
2-[[4-[[[4-(tert-Butyl)phenyl]sulfonyl]imino]-1-oxo-1,4-dihydro-2-naphthyl]thio]acetic Acid
Acetic acid, 2-[[4-[[[4-(1,1-dimethylethyl)phenyl]sulfonyl]imino]-1,4-dihydro-1-oxo-2-naphthalenyl]thio]- | [Molecular Formula]
C22H21NO5S2 | [MDL Number]
MFCD05803546 | [MOL File]
881487-77-0.mol | [Molecular Weight]
443.54 |
| Chemical Properties | Back Directory | [Boiling point ]
622.4±65.0 °C(Predicted) | [density ]
1.32±0.1 g/cm3(Predicted) | [storage temp. ]
4°C, protect from light, stored under nitrogen | [solubility ]
DMSO: soluble | [form ]
A solid | [pka]
3.52±0.10(Predicted) | [color ]
White to yellow |
| Hazard Information | Back Directory | [Uses]
KPT-6566 is a selective and covalent prolyl isomerase PIN1 inhibitor, covalently binds to the catalytic site of PIN1, selectively inhibits and degrades PIN1. KPT-6566 shows an IC50 value of 640 nM and a Ki value of 625.2 nM for PIN1 PPIase domain. KPT-6566 can be used for the research of cancer[1]. | [Biological Activity]
Potent and selective peptidyl-prolyl cis-trans isomerase (PPIase) Pin1 covalent inhibitor with anti-cancer efficacy in cultures and in vivo.
KPT-6566 is a potent and selective peptidyl-prolyl cis-trans isomerase (PPIase) Pin1 inhibitor (IC50 = 640 nM) th at targets Pin1 catalytic site for covalent modificationresulting in Pin1 degradation and the release of ROS-generating and DNA-damaging quinone-mimicking KPT-6566-B. KPT-6566 inhibits the proliferation of wild-typebut not Pin1-/-MEFs (1-5 μM for 48h) with concomitant reduction of cellular pRB and Cyclin D1 hyperphosphorylation. KPT-6566 induces cancer cell death in cultures (1-10 μM for 48h) and reduces MDA-MB-231 lung metastasis in mice in vivo (5 mg/kg/d i.p.). KPT-6566 is more potent than juglone and does not affect the PPIase activity of GST-FKBP4 or GST-PPIA. | [in vivo]
KPT-6566 (5 mg/kg; i.p. once a day for 26 days) shows no toxicity to mice[1]. | Animal Model: | 6-week-old female mice with 1 million of MDA-MB-231Luc6 cells injection[1] | | Dosage: | 5 mg/kg | | Administration: | Intraperitoneal injection; 5 mg/kg once a day; for 26 days | | Result: | Exibited no sign of local or systemic and organ toxicity by post mortem morphologic analyses. |
| [References]
[1] Campaner E, et al. A covalent PIN1 inhibitor selectively targets cancer cells by a dual mechanism of action. Nat Commun. 2017 Jun 9;8:15772. DOI:10.1038/ncomms15772 |
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DC Chemicals
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Merck KGaA
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www.sigmaaldrich.cn |
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