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Purity: ≥98%
PK11000 is a novel and potent p53-targeting chemical with alkylating properties that has anti-tumor effects by activating unstable p53 (tumor suppressor p53). There were two ways that PK11000 operated: p53 dependent and p53 independent. By selectively alkylating two surface-exposed cysteines, PK11000 preserved the DNA binding activity of p53 while stabilizing it in vitro. In some cancer cell lines, PK11000 reactivated unstable p53, which increased the expression of p53 target genes like p21 and PUMA. More generally, as was also observed for the anticancer drug PRIMA-1(MET)(APR-246), there was cell death that was independent of p53 but dependent on glutathione depletion and associated with highly elevated levels of reactive oxygen species and induction of endoplasmic reticulum (ER) stress. PK11000 may serve as a lead for anticancer medications that target cells with dysfunctional p53 or impaired reactive oxygen species (ROS) detoxification in a variety of mutant p53 cells.
| Targets |
p53
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|---|---|
| ln Vitro |
PK11000 (0-120 μM, 24 h) only slightly inhibits cancer cells with mutant p53[1].
PK11000 (0-50 μM, 5 d) shows anti-proliferation effects of breast cell lines[2]. |
| References |
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| Molecular Formula |
C6H5CLN2O4S
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|---|---|---|
| Molecular Weight |
236.63
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| Exact Mass |
235.966
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| Elemental Analysis |
C, 30.46; H, 2.13; Cl, 14.98; N, 11.84; O, 27.05; S, 13.55
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| CAS # |
38275-34-2
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| Related CAS # |
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| PubChem CID |
1241459
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| Appearance |
White to off-white solid powder
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| LogP |
1.312
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
14
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| Complexity |
325
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| Defined Atom Stereocenter Count |
0
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| SMILES |
ClC1=C([H])N=C(N=C1C(=O)O[H])S(C([H])([H])[H])(=O)=O
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| InChi Key |
WZUPWJVRWIVWEF-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C6H5ClN2O4S/c1-14(12,13)6-8-2-3(7)4(9-6)5(10)11/h2H,1H3,(H,10,11)
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| Chemical Name |
5-chloro-2-methylsulfonylpyrimidine-4-carboxylic acid
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| Synonyms |
PK 11007-analog; PK-11007-analog; PK11007-analog; PK11000; PK-11000; PK 11000
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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 |
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| 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) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (10.57 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 (10.57 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (10.57 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. Solubility in Formulation 4: 20 mg/mL (84.52 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.2260 mL | 21.1300 mL | 42.2601 mL | |
| 5 mM | 0.8452 mL | 4.2260 mL | 8.4520 mL | |
| 10 mM | 0.4226 mL | 2.1130 mL | 4.2260 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.
Biological effects of PK11007 on diverse cancer cell lines and one human fibroblast cell line.Proc Natl Acad Sci U S A.2016 Sep 6;113(36):E5271-80. |
Biological effects of 2-sulfonylpyrimidines on diverse cell lines.Proc Natl Acad Sci U S A.2016 Sep 6;113(36):E5271-80. |
PK11000 bound to and stabilized p53 DBD.Proc Natl Acad Sci U S A.2016 Sep 6;113(36):E5271-80. |
Products are for research use only; We do not sell to patients
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