ChemicalBook--->CAS DataBase List--->176957-55-4

176957-55-4

176957-55-4 Structure

176957-55-4 Structure
IdentificationBack Directory
[Name]

Cyclopentanone, 2,5-bis(2-thienylMethylene)-, (E,E)-
[CAS]

176957-55-4
[Synonyms]

CS-1839
CCT007093
CCTOO7093
CCT-007093; CCT 007093; CCT007093
2,5-Bis(2-thienylmethylene)-cyclopentanone
(2E,5E)-2,5-Bis(2-thienylmethylene)cyclopentanone
2,5-bis(2-thienylMethylene)-, (E,E)-Cyclopentanone
Cyclopentanone, 2,5-bis(2-thienylMethylene)-, (E,E)-
(2E,5E)-2,5-Bis(thiophen-2-ylmethylene)cyclopentanone
Cyclopentanone, 2,5-bis(2-thienylmethylene)-, (2E,5E)-
(2Z,5E)-2,5-bis(thiophen-2-ylmethylidene)cyclopentan-1-one
(2E,5E)-2,5-Bis(2-thienylmethylene)cyclopentanone CCT007093
[Molecular Formula]

C15H12OS2
[MDL Number]

MFCD00121546
[MOL File]

176957-55-4.mol
[Molecular Weight]

272.39
Chemical PropertiesBack Directory
[Melting point ]

222-223℃
[storage temp. ]

2-8°C
[solubility ]

DMSO: >3mg/mL
[form ]

powder, yellow
[color ]

Light yellow to green yellow
[Sensitive ]

Light Sensitive
[InChI]

1S/C15H12OS2/c16-15-11(9-13-3-1-7-17-13)5-6-12(15)10-14-4-2-8-18-14/h1-4,7-10H,5-6H2/b11-9+,12-10+
[InChIKey]

KPFZCKDPBMGECB-WGDLNXRISA-N
[SMILES]

O=C1\C(CC\C1=C/c2cccs2)=C\c3cccs3
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

Acts as a PPM1D inhibitor
[Biological Activity]

cct007093 is a small-molecule chemical inhibitor of ppm1d with ic50 value of 8.4μm [1].cct007093 is a thienylidene cyclopentanone and shows a potent inhibition of ppm1d in the in vitro assay when using the recombinant phospho-p38 as a substrate. in cellular assay, cct007093 shows specificity for mcf-7 cells over hela cells. it reduces 40% viability of the cells after 2 days. it is found that the cell death induced by cct007093 is dependent on p38 kinase activity. cct007093 mimics the effect of ppm1d rnai in activating p38 kinase. it induces p38 phosphorylation at 4 h post-exposure in mcf-7 cells and the loss of viability can be rescued by sb203580, the specific p38 inhibitor [1].
[in vivo]

CCT007093 (6.4 mg/kg) enhances liver regeneration and increases the survival rate of mice following major hepatectomy[1].

Animal Model:Wild-type mice[1].
Dosage:3.2 and 6.4 mg/kg.
Administration:Injected intraperitoneally 4 times (mice were sacrificed at 36 h post-PH).
Result:Significantly improved survival in mice following major hepatectomy (80% hepatectomy).
The level of PCNA was also significantly increased in the liver of CCT007093-treated mice at 36h, 48h and 72h post-PH.
[target]

WIP1
[References]

[1] rayter s, elliott r, travers j, rowlands mg, richardson tb, boxall k, jones k, linardopoulos s, workman p, aherne w, lord cj, ashworth a. a chemical inhibitor of ppm1d that selectively kills cells overexpressing ppm1d. oncogene. 2008 feb 14;27(8):1036-44.
Spectrum DetailBack Directory
[Spectrum Detail]

Cyclopentanone, 2,5-bis(2-thienylMethylene)-, (E,E)-(176957-55-4)1HNMR
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