ChemicalBook--->CAS DataBase List--->300802-28-2

300802-28-2

300802-28-2 Structure

300802-28-2 Structure
IdentificationBack Directory
[Name]

CIL56
[CAS]

300802-28-2
[Synonyms]

CA3
CIL56
CA3 NEW
CIL56(CA3)
YAP1 inhibitor CA3
CIL56;CIL-56;CIL 56;CA3;CA-3;CA 3
Recombinant Human CA3 Protein, His Tag
2,7-Bis-(piperidine-1-sulfonyl)-fluoren-9-one oxime
9H-Fluoren-9-one, 2,7-bis(1-piperidinylsulfonyl)-, oxime
N-Hydroxy-2,7-bis(1-piperidinylsulfonyl)-9H-fluoren-9-imine
7-bis(piperidin-1-ylsulfonyl)fluoren-9-ylidene]hydroxylamine
N-[2;7-BIS(PIPERIDIN-1-YLSULFONYL)FLUOREN-9-YLIDENE]HYDROXYLAMINE;CA3;CIL 56;CIL-56
[Molecular Formula]

C23H27N3O5S2
[MDL Number]

MFCD00323348
[MOL File]

300802-28-2.mol
[Molecular Weight]

489.61
Chemical PropertiesBack Directory
[Boiling point ]

741.7±70.0 °C(Predicted)
[density ]

1.51±0.1 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMF: 10 mg/ml; DMSO: 10 mg/ml; DMSO:PBS (pH 7.2)(1:9): 0.1 mg/ml; Ethanol: 0.15 mg/ml
[form ]

A crystalline solid
[pka]

10.16±0.20(Predicted)
[color ]

White to off-white
[InChI]

1S/C23H27N3O5S2/c27-24-23-21-15-17(32(28,29)25-11-3-1-4-12-25)7-9-19(21)20-10-8-18(16-22(20)23)33(30,31)26-13-5-2-6-14-26/h7-10,15-16,23H,1-6,11-14H2
[InChIKey]

YLRXSLQNJCJWGZ-UHFFFAOYSA-N
[SMILES]

[S](=O)(=O)(N5CCCCC5)c1cc2c(cc1)c3c(cc(cc3)[S](=O)(=O)N4CCCCC4)C2N=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Health Hazard (GHS08)
GHS07,GHS08
[Signal word ]

Danger
[Hazard statements ]

H301-H315-H319-H335
[Precautionary statements ]

P260-P270-P264-P308+P311-P301+P310+P330-P405-P501
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

CIL56 inhibits YAP/Tead transcriptional activity. Has anti-tumour effects on oesophageal adenocarcinoma with therapeutic potential in combination with 5-FU. Involved in ferroptosis, mediated by iron-dependent ROS.
[Biological Activity]

CA3 is a potent and selective inhibitor of YAP1 (Hippo co-activator Yes-associated protein 1) th at inhibits YAP1 expression and transcriptional activity in esophageal adenocarcinoma (EAC) cell lines. CA3 potently inhibits growthinduces apoptosis in radiation resistant CSC (cancer stem cell) enriched EAC cells. It inhibits tumor growth of in xenograft model with no apparent toxicity.
Spectrum DetailBack Directory
[Spectrum Detail]

CIL56(300802-28-2)1HNMR
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