PK11007
PK11007 structure
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Common Name | PK11007 | ||
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| CAS Number | 38275-34-2 | Molecular Weight | 236.63300 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C6H5ClN2O4S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
Use of PK11007PK11007 is a p53 targeting compound, has anti-tumor activities through activation of unstable p53. |
Summary: 5-Chloro-2-methylsulfonylpyrimidine-4-carboxylic acid (CAS: 38275-34-2, molecular formula: C6H5ClN2O4S, molecular weight: 236.63300) is a powdery compound used to target p53 for reactivating unstable p53 to combat tumors. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 5-chloro-2-methylsulfonylpyrimidine-4-carboxylic acid |
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| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | PK11007 is a p53 targeting compound, has anti-tumor activities through activation of unstable p53. |
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| Related Catalog | |
| Target |
p53[1] |
| In Vitro | PK11007 (15-30 µM) reduces the viability of mutant p53 cell lines MKN1 (V143A), HUH-7 (Y220C), NUGC-3 (Y220C), and SW480 (R273H/P309S). PK11007 also shows inhibitory activities against the p53 wt cancer cell lines HUH-6 and NUGC-4, as well as the fibroblast cell line WI-38 only at high concentrations (60 and 120 µM). PK11007 increases levels of p53 target genes and activates the unfolded protein response pathway. PK11007 also increases p53 activity in HUH-6 and NUGC-4 cells. PK11007 induces cell death via caspase-independent pathways. PK11007 (30, 60 µM) induces reactive oxygen species (ROS) especially in mutant p53 cells[1]. PK11007 inhibits the proliferation of a panel of 17 breast cell lines, with IC50s ranging from 2.3 to 42.2 μM[2]. |
| Cell Assay | Cell viability is measured using the CellTiter-Fluor cell viability assay kit. Cells are seeded in 96-well plates at 7,500-15,000 cells per well and incubated overnight. Samples are prepared in medium with a twice-as-high compound (including PK11007), and DMSO concentration then added to an equivalent volume of growth medium, yielding a final DMSO concentration of 0.5%. After incubating of cells for 23 h or the respective time period, CellTiter-Fluor reagent is added to each well and incubated again for 45 min. Fluorescence is then recorded on a PHERAstar plate reader using 400/500 nm excitation/emission filters. Experiments are performed in quadruplicate[1]. |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Molecular Formula | C6H5ClN2O4S |
|---|---|
| Molecular Weight | 236.63300 |
| Exact Mass | 235.96600 |
| PSA | 105.60000 |
| LogP | 1.31250 |
| InChIKey | WZUPWJVRWIVWEF-UHFFFAOYSA-N |
| SMILES | CS(=O)(=O)c1ncc(Cl)c(C(=O)O)n1 |
| Storage condition | -20℃ |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2933599090 |
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This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 1 | |
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| DownStream 1 | |
CAS#:61727-33-1
CAS#:38275-47-7This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933599090 |
|---|---|
| Summary | 2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Stability of compound assessed as half life in presence of glutathione measured upto ...
Source: ChEMBL
Target: N/A
External Id: CHEMBL5107910
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Name: Thermal stabilization of human T-p53C-Y220C mutant expressed in Escherichia coli BL21...
Source: ChEMBL
Target: Cellular tumor antigen p53
External Id: CHEMBL5107908
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-methanesulfonyl-5-chloro-4-pyrimidinecarboxylic acid |
| 2-methylsulfonyl-5-chloro-4-pyrimidine carboxylic acid |
| 2-methylsulfonyl-5-chloropyrimidine-4-carboxylic acid |
| 5-chloro-2-methanesulfonyl-pyrimidine-4-carboxylic acid |
| 4-carboxy-5-chloro-2-methylsulfonylpyrimidine |
| PK11007 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What English synonyms does 5-chloro-2-methylsulfonylpyrimidine-4-carboxylic acid have? |
| A: English synonyms of 5-chloro-2-methylsulfonylpyrimidine-4-carboxylic acid: 2-methanesulfonyl-5-chloro-4-pyrimidinecarboxylic acid, 2-methylsulfonyl-5-chloro-4-pyrimidine carboxylic acid, 2-methylsulfonyl-5-chloropyrimidine-4-carboxylic acid, 5-chloro-2-methanesulfonyl-pyrimidine-4-carboxylic acid, 4-carboxy-5-chloro-2-methylsulfonylpyrimidine, PK11007. |
| Q: What is the molecular formula of 5-chloro-2-methylsulfonylpyrimidine-4-carboxylic acid? |
| A: Molecular formula of 5-chloro-2-methylsulfonylpyrimidine-4-carboxylic acid is C6H5ClN2O4S. |
| Q: What are the storage conditions for 5-chloro-2-methylsulfonylpyrimidine-4-carboxylic acid? |
| A: Storage conditions for 5-chloro-2-methylsulfonylpyrimidine-4-carboxylic acid: -20℃. |
| Q: What is the InChIKey of 5-chloro-2-methylsulfonylpyrimidine-4-carboxylic acid? |
| A: InChIKey of 5-chloro-2-methylsulfonylpyrimidine-4-carboxylic acid is WZUPWJVRWIVWEF-UHFFFAOYSA-N. |
| Q: What is the English name of 5-chloro-2-methylsulfonylpyrimidine-4-carboxylic acid? |
| A: The English name of 5-chloro-2-methylsulfonylpyrimidine-4-carboxylic acid is 5-chloro-2-methylsulfonylpyrimidine-4-carboxylic acid. |
| Q: What is the CAS number of 5-chloro-2-methylsulfonylpyrimidine-4-carboxylic acid? |
| A: CAS number of 5-chloro-2-methylsulfonylpyrimidine-4-carboxylic acid is 38275-34-2. |
| Q: What is the SMILES notation of 5-chloro-2-methylsulfonylpyrimidine-4-carboxylic acid? |
| A: SMILES notation of 5-chloro-2-methylsulfonylpyrimidine-4-carboxylic acid is CS(=O)(=O)c1ncc(Cl)c(C(=O)O)n1. |
| Q: What is the LogP of 5-chloro-2-methylsulfonylpyrimidine-4-carboxylic acid? |
| A: LogP of 5-chloro-2-methylsulfonylpyrimidine-4-carboxylic acid is 1.31250. |
| Q: What is the polar surface area (PSA) of 5-chloro-2-methylsulfonylpyrimidine-4-carboxylic acid? |
| A: Polar surface area (PSA) of 5-chloro-2-methylsulfonylpyrimidine-4-carboxylic acid is 105.60000. |
| Q: What are the uses of 5-chloro-2-methylsulfonylpyrimidine-4-carboxylic acid? |
| A: Main uses of 5-chloro-2-methylsulfonylpyrimidine-4-carboxylic acid: PK11007 is a p53 targeting compound, has anti-tumor activities through activation of unstable p53. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |