| Size | Price | Stock | Qty |
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| 25mg |
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| 50mg |
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| 100mg |
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| 250mg |
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| Other Sizes |
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PACMA 31 (PACMA31; PACMA-31) is a novel, orally bioavailable, and covalent/irreversible inhibitor of protein disulfide isomerase (PDI) with potentian anticancer activity. It acts by forming a covalent bond with the cysteine residue in the active site of PDI and inhibits PDI with an IC50 of 10 μM. PDI is an endoplasmic reticulum protein that regulates oxidative protein folding by catalyzing the breakage and reformation of disulfide bonds. PDI has been found to be upregulated in various cancers such as ovarian cancers.
| ln Vitro |
In a dose-dependent manner, PACMA 31 (0-10 μM; 24 hours) significantly inhibits OVCAR-8 cell colony formation [1].
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| ln Vivo |
In human tumor cell xenografts, PACMA 31 (20–200 mg/kg; i.p.; once day for 62 days) suppresses tumor growth [1].
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| Animal Protocol |
Animal/Disease Models: Athymic mice (carrying OVCAR-8 cells) [1]
Doses: 20-200 mg/kg Route of Administration: daily intraperitoneal (ip) injection for the first 3 weeks, treatment cycle is 5 days and 2 days off, followed by 7 days The dose is gradually increased to 40 mg/kg per day; PO, the initial dose is 20 mg/kg per day, gradually increased to 20 mg/kg per day for 3 d, then 200 mg/kg orally per day for 32 d, from 20 to 200 mg/kg Experimental Results: Compared with the control group, intraperitoneal (ip) injection or oral administration of PACMA 31 Dramatically inhibited tumor growth by 85% and 65% on day 62, respectively. |
| References |
[1]. Xu S, et al. Discovery of an orally active small-molecule irreversible inhibitor of protein disulfide isomerase for ovarian cancer treatment. Proc Natl Acad Sci U S A. 2012;109(40):16348-16353.
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| Molecular Formula |
C21H22N2O6S
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|---|---|
| Molecular Weight |
430.475
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| Exact Mass |
430.1199
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| CAS # |
1401089-31-3
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| SMILES |
S1C=CC=C1C(C(NCC(=O)OCC)=O)N(C(C#C)=O)C1C=CC(=CC=1OC)OC
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| Synonyms |
PACMA31 PACMA-31 PACMA 31
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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 : ~100 mg/mL (~232.30 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.81 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 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. Solubility in Formulation 2: ≥ 2.5 mg/mL (5.81 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.3230 mL | 11.6149 mL | 23.2299 mL | |
| 5 mM | 0.4646 mL | 2.3230 mL | 4.6460 mL | |
| 10 mM | 0.2323 mL | 1.1615 mL | 2.3230 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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