| Size | Price | Stock | Qty |
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| 10mg |
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| 25mg |
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| Other Sizes |
Purity: ≥98%
| Targets |
PDI (IC50 = 2.9 μM)
CCF-642 targets protein disulfide isomerase (PDI), an enzyme that catalyzes the formation and rearrangement of disulfide bonds in proteins. By inhibiting PDI, CCF-642 disrupts protein folding in the endoplasmic reticulum (ER), leading to ER stress. This triggers apoptosis in cancer cells, particularly multiple myeloma cells. |
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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].
CCF-642 is a potent PDI inhibitor with an IC50 of 2.9 μM. It exhibits 100-fold higher potency than PACMA 31. In 10 of 10 multiple myeloma cell lines, CCF-642 showed a submicromolar IC50. It causes acute ER stress in multiple myeloma cells accompanied by apoptosis-inducing calcium release. |
| 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].
Specific in vivo activity data for CCF-642 is not extensively detailed in the available literature. As a research compound, its in vivo effects are primarily studied in the context of PDI inhibition and its impact on tumor growth, particularly in multiple myeloma. Further studies are needed to fully characterize its in vivo efficacy and pharmacokinetic properties. |
| Enzyme Assay |
CCF-642's activity as a PDI inhibitor is assessed using in vitro enzyme assays that measure its ability to inhibit PDI's reductase activity. The di-E-GSSG assay or other PDI activity assays are used. The IC50 of 2.9 μM is determined from dose-response curves.
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| Cell Assay |
Cellular assays for CCF-642 involve treating multiple myeloma cell lines with the compound and measuring cell proliferation, viability, and ER stress markers. The compound's ability to induce ER stress and apoptosis is assessed by measuring markers such as CHOP, BiP, and caspase activation.
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| Animal Protocol |
In vivo animal model protocols for CCF-642 would involve its administration to tumor-bearing mice, particularly models of multiple myeloma, to evaluate its antitumor efficacy. The compound's effects on tumor growth, PDI activity in tumor tissues, and ER stress markers would be assessed.
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| ADME/Pharmacokinetics |
CCF-642 has a molecular weight of 378.45 and a molecular formula of C15H10N2O4S3. Its IUPAC name is (5E)-3-(4-methoxyphenyl)-5-[(5-nitrothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one. Specific pharmacokinetic data is not extensively detailed in the available literature.
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| Toxicity/Toxicokinetics |
The toxicological profile of CCF-642 has not been extensively characterized. As a research compound, it is intended for research use only and not for human consumption. Standard safety assessments would be required for clinical development.
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| References | |
| Additional Infomation |
CCF-642 (CAS# 346640-08-2) is a research compound used to study PDI function and ER stress in cancer. It is a potent PDI inhibitor with an IC50 of 2.9 μM that induces ER stress and apoptosis in multiple myeloma cells. It is not approved for clinical use and is supplied as a research chemical.
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| 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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