CCF642 (AC1LYELL) is a novel protein disulfide isomerase (PDI) inhibitor with anti-myeloma activity.

 

Brand: BCM

 

Target: protein disulfide isomerases

 

In Vitro: In vitro, CCF642 inhibits PDI reductase activity about 100-fold more potently than the structurally distinct established inhibitors PACMA 31 and LOC14. Computational modeling suggests a novel covalent binding mode in active-site CGHCK motifs. CCF642 causes acute ER stress in multiple myeloma cells accompanied by apoptosis-inducing calcium release.

 

In Vivo: CCF642 displays potent efficacy in an aggressive syngeneic mouse model of multiple myeloma and prolongs the lifespan of C57BL/KaLwRij mice engrafted with 5TGM1-luc myeloma, an effect comparable to the first-line multiple myeloma therapeutic bortezomib.

 

Boiling Point: 567.3±60.0 °C(Predicted)

 

pKa: -0.70±0.20(Predicted)

 

Solubility: Soluble in DMSO. Soluble in Water; Soluble in Ethanol.

 

GHS: GHS07

 

Isomeric SMILES: COC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC=C(S3)[N+](=O)[O-])/SC2=S  

 

InChIKey: SPYIETQLOVDJCF-XYOKQWHBSA-N  

 

InChI: InChI=1S/C15H10N2O4S3/c1-21-10-4-2-9(3-5-10)16-14(18)12(24-15(16)22)8-11-6-7-13(23-11)17(19)20/h2-8H,1H3/b12-8+

 

Attribute
[Chem Name]	(5E)-3-(4-methoxyphenyl)-5-[(5-nitrothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
[Synonym]	CCF642; AC1LYELL
[CAS No.]	346640-08-2
[MDL No.]	MFCD01836919
[Formula]	C15H10N2O4S3
[Molecular]	378.45
[Storage]	Keep in dark place. Sealed in dry, 2-8°C
[Form]	Yellow to orange solid

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