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| 25mg |
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Purity: ≥98%
CCF-642 is a protein disulfide isomerase (PDI) inhibitor. In 10 of 10 multiple myeloma cell lines, CCF642 showed a submicromolar IC50. Compared to the structurally distinct established inhibitors PACMA 31 and LOC14, CCF642 had a 100-fold greater inhibitory effect on PDI reductase activity in vitro. CCF642 demonstrated strong efficacy in an aggressive syngeneic mouse model of multiple myeloma and increased the life expectancy of C57BL/KaLwRij mice engrafted with 5TGM1-luc myeloma, exhibiting effects similar to those of the first-line multiple myeloma treatment bortezomib.
| Targets |
PDI (IC50 = 2.9 μM)
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|---|---|
| ln Vitro |
CCF642 is about 100-fold more potent than the structurally distinct established inhibitors PACMA 31 and LOC14 at inhibiting PDI reductase activity in vitro. A novel covalent binding mode in active-site CGHCK motifs is suggested by computational modeling. In multiple myeloma cells, CCF642 induces calcium release that promotes apoptosis in addition to acute ER stress[1].
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| ln Vivo |
CCF642 exhibits strong efficacy in an aggressive syngeneic mouse model of multiple myeloma and extends the life of C57BL/KaLwRij mice engrafted with 5TGM1-luc myeloma, an effect similar to the first-line multiple myeloma treatment bortezomib[1].
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| References |
| Molecular Formula |
C15H10N2O4S3
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|---|---|
| Molecular Weight |
378.44
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| Exact Mass |
377.98
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| Elemental Analysis |
C, 47.61; H, 2.66; N, 7.40; O, 16.91; S, 25.42
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| CAS # |
346640-08-2
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| Related CAS # |
346640-08-2
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| PubChem CID |
1820764
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| Appearance |
Brown solid powder
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| Density |
1.6±0.1 g/cm3
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| Boiling Point |
567.3±60.0 °C at 760 mmHg
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| Flash Point |
296.9±32.9 °C
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| Vapour Pressure |
0.0±1.6 mmHg at 25°C
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| Index of Refraction |
1.760
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| LogP |
4.11
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
24
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| Complexity |
570
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C1N(C2=CC=C(OC)C=C2)C(S/C1=C/C3=CC=C([N+]([O-])=O)S3)=S
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| InChi Key |
SPYIETQLOVDJCF-XYOKQWHBSA-N
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| InChi Code |
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+
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| Chemical Name |
(5E)-3-(4-methoxyphenyl)-5-[(5-nitrothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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| Synonyms |
CCF-642; CCF642; CCF 642
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO: ≥ 30 mg/mL (~79.3 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 0.62 mg/mL (1.64 mM) in 10% DMSO + 40% PEG300 +5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 6.2 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 + to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.6424 mL | 13.2121 mL | 26.4243 mL | |
| 5 mM | 0.5285 mL | 2.6424 mL | 5.2849 mL | |
| 10 mM | 0.2642 mL | 1.3212 mL | 2.6424 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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