ChemicalBook--->CAS DataBase List--->749872-43-3

749872-43-3

749872-43-3 Structure

749872-43-3 Structure
IdentificationBack Directory
[Name]

CID 5951923
[CAS]

749872-43-3
[Synonyms]

AC1NZ6UQ
CID 5951923
KLF5 Inhibitor, CID 5951923
KLF5 Inhibitor, CID 5951923 - CAS 749872-43-3 - Calbiochem
[2-[(1,1-Dioxothiolan-3-yl)-methylamino]-2-oxoethyl] (E)-3-(3-nitrophenyl)prop-2-enoate
2-((1,1-Dioxidotetrahydrothiophen-3-yl)(methyl)amino)-2-oxoethyl 3-(3-nitrophenyl)acrylate
3-(3-Nitro-phenyl)-acrylic acid [(1,1-dioxo-tetrahydro-1l6-thiophen-3-yl)-methyl-carbamoyl]-me
2-[Methyl(tetrahydro-1,1-dioxido-3-thienyl)amino]-2-oxoethyl (E)-3-(3-nitrophenyl)prop-2-enoate
3-(3-Nitrophenyl)-2-propenoic Acid 2-[Methyl(tetrahydro-1,1-dioxido-3-thienyl)aMino]-2-oxoethyl Ester
3-(3-Nitro-phenyl)-acrylic acid [(1,1-dioxo-tetrahydro-1l6-thiophen-3-yl)-methyl-carbamoyl]-methyl ester
[Molecular Formula]

C16H18N2O7S
[MDL Number]

MFCD04796932
[MOL File]

749872-43-3.mol
[Molecular Weight]

382.39
Chemical PropertiesBack Directory
[Boiling point ]

646.9±55.0 °C(Predicted)
[density ]

1.43±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

DMSO: soluble10mg/mL (clear solution)
[form ]

powder
[pka]

-1.40±0.20(Predicted)
[color ]

white to beige
[InChI]

1S/C16H18N2O7S/c1-17(14-7-8-26(23,24)11-14)15(19)10-25-16(20)6-5-12-3-2-4-13(9-12)18(21)22/h2-6,9,14H,7-8,10-11H2,1H3/b6-5+
[InChIKey]

URVRJYLSUVXWBC-AATRIKPKSA-N
[SMILES]

O=C(OCC(N(C)C1CS(CC1)(=O)=O)=O)/C=C/C2=CC=CC([N+]([O-])=O)=C2
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

This compound acts as a KLF-5 expression inhibitor. which in turn reduces proliferation cell rates in colorectal cancer cells in humans.
[General Description]

A cell-permeable phenylpropenoate compound that inhibits the proliferation of colon cancer cell lines exhibiting high levels of KLF5 (IC50 = 1.6 μM in DLD-1 cells). Downregulates the expression of early growth response protein 1 (EGR1), which modulates KLF5 expression at transcription level. Shown to activate the EGFR/ERK pathway by stimulating phosphorylation of EGFR-Tyr1068 and ERK1/2-Thr202/Tyr204. Also, up-regulates the phosphorylation of p38 MAPK-Thr180/Tyr182.
[Biological Activity]

CID 5951923 is an inhibitor of Kruppel-like factor 5 (KLF5) expression th at significantly reduced endogenous KLF5 protein levels and decreased viability of several colorectal cancer cell lines. CID 5951923 is selective for colon cancer cells over nontransformed cells.
Spectrum DetailBack Directory
[Spectrum Detail]

CID 5951923(749872-43-3)1HNMR
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