| Size | Price | |
|---|---|---|
| 5mg | ||
| 10mg | ||
| 25mg | ||
| 50mg | ||
| 100mg | ||
| 250mg | ||
| Other Sizes |
Purity: ≥98%
OICR-0547 (OICR 0547; OICR0547), an OICR-9429 analog, is an antagonist of the protein protein interaction between WDR5 and the peptide regions of MLL and Histone 3 with potential antineoplastic activity. It shows potent anti-proliferative activity in vitro against p30-expressing human AML cells.
OICR-0547 (CAS: 1801873-49-3) is an aromatic amide small molecule compound with the molecular formula C₂₈H₂₉F₃N₄O₄ and a molecular weight of 542.5 g/mol. This compound is a close structural analog of OICR-9429 (a potent antagonist of the WDR5-MLL interaction) and is widely used as a negative control. OICR-0547 itself does not bind to the WDR5 protein, making it valuable for validating the specificity of OICR-9429 in biological assays. This product is intended for scientific research use only and is not for human therapeutic applications.| Targets |
OICR-0547 itself does not bind to its target protein. As a negative control compound, OICR-0547 does not bind to WDR5 (WD Repeat-Containing Protein 5). WDR5 is a core component of the MLL (Mixed-Lineage Leukemia) complex, playing a crucial role in gene transcription regulation and is implicated in various cancers, including acute myeloid leukemia (AML) and breast cancer. Unlike OICR-9429 (binding affinity Kd = 93 nM), OICR-0547 lacks this target binding activity, making it useful for distinguishing specific on-target effects from non-specific off-target effects.
|
|---|---|
| ln Vitro |
WDR5 is not bound by OICR-0547[1]. OICR-0547 (0.1-100 μM) does not affect the viability of cells[1].
In vitro studies demonstrate that OICR-0547 (0.1-100 μM) has no significant effect on the viability of K562 cells and Cebpa p30/p30 cells. Unlike the active compound OICR-9429 (which inhibits approximately 50% of cell growth at concentrations as low as 0.5 μM), OICR-0547 treatment does not induce similar antiproliferative effects. At high concentrations, OICR-0547 exhibits non-selective toxicity in both cell types. These results confirm the role of OICR-0547 as a negative control compound that does not produce specific targeted antiproliferative effects. |
| ln Vivo |
In NOD-SCID mice, OICR-0547 (iv, ip; 3, 30 mg/kg) is an appropriate negative control[2].
In vivo, OICR-0547 serves as an appropriate negative control in NOD-SCID mouse models when administered via intravenous injection (3 mg/kg) and intraperitoneal injection (30 mg/kg). The compound is used in parallel with the active OICR-9429 in these in vivo models to validate the specificity of OICR-9429's antitumor activity. |
| Enzyme Assay |
The binding affinity of OICR-0547 to WDR5 can be assessed using fluorescence polarization (FP) or AlphaScreen technology. Purified recombinant WDR5 protein is incubated with a fluorescently labeled tracer ligand (or biotinylated ligand) and various concentrations of OICR-0547 (0-100 μM) in binding buffer. Following incubation at room temperature for 1-2 hours, fluorescence polarization values (or AlphaScreen signals) are measured using a fluorescence microplate reader. OICR-9429 is known to exhibit Kd = 93 nM in such assays, while OICR-0547 demonstrates no competitive binding activity in this system. OICR-9429 is included as a positive control in parallel.
|
| Cell Assay |
Cell Viability Assay[1]
Cell Types: K562 cells and Cebpa p30/p30cells Tested Concentrations: 0.1 -100 μM Incubation Duration: Experimental Results: Induced non-selective toxicity at high doses in both cell types. Exponentially growing cells (e.g., K562 human chronic myeloid leukemia cells or Cebpa p30/p30 AML cells) are seeded into 96-well culture plates at densities of 5×10³-1×10⁴ cells/well in medium containing 10% fetal bovine serum and cultured overnight. Various concentrations of OICR-0547 (0.1-100 μM) are added and incubated for 48-72 hours. Cell viability is assessed using CellTiter-Glo luminescent or MTT assays, with luminescence or absorbance measured at appropriate wavelengths using a microplate reader. OICR-9429 and DMSO are included as positive and vehicle controls, respectively. Cell viability percentages are calculated to confirm that OICR-0547 does not produce specific growth inhibitory effects within the effective concentration range of the active compound. |
| Animal Protocol |
Animal/Disease Models: NOD-SCID (severe combined immunodeficient) mouse (female)[2]
Doses: 3, 30 mg/kg Route of Administration: IV, IP Experimental Results: Served as a suitable negative control for biological experiments. Six-to-eight-week-old female NOD-SCID immunodeficient mice are subcutaneously inoculated with human tumor cells (e.g., MLL-rearranged AML cell lines, 5×10⁶ cells/100 μL PBS). When tumor volumes reach approximately 100-150 mm³, animals are randomly assigned to treatment groups (6-10 mice per group). OICR-0547 is administered via intravenous injection (3 mg/kg) or intraperitoneal injection (30 mg/kg). Experimental groups include a vehicle control group, an OICR-0547 negative control group, and an OICR-9429 treatment group. Tumor volume (length × width²/2) and body weight are measured 2-3 times weekly. At the end of the experiment, animals are euthanized, tumor inhibition rates are calculated, and tumor tissues are collected for pharmacodynamic analysis to confirm the specificity of OICR-9429's antitumor effects. |
| ADME/Pharmacokinetics |
As a negative control analog of OICR-9429, the pharmacokinetic parameters of this compound (such as plasma half-life, volume of distribution, clearance, and bioavailability) have not been characterized in detail. In in vivo animal experiments, the dosing regimen of OICR-0547 (3 mg/kg intravenous and 30 mg/kg intraperitoneal) was adapted from pharmacokinetic studies of OICR-9429. This compound is intended for research use only, and its pharmacokinetic parameters do not possess independent preclinical pharmacological significance.
|
| Toxicity/Toxicokinetics |
In in vitro cytotoxicity assays, OICR-0547 does not exhibit specific cytotoxicity against K562 and Cebpa p30/p30 cells within the concentration range of 0.1-100 μM. Non-selective toxicity is observed at high concentrations (>100 μM). In in vivo animal models, no significant acute toxicities have been reported for OICR-0547 at the administered doses (3 mg/kg intravenous and 30 mg/kg intraperitoneal). This compound is explicitly stated for scientific research use only and is not for human therapeutic applications.
|
| References |
|
| Additional Infomation |
OICR-0547 is an aromatic amide.
|
| Molecular Formula |
C28H29F3N4O4
|
|
|---|---|---|
| Molecular Weight |
542.549477338791
|
|
| Exact Mass |
542.214
|
|
| CAS # |
1801873-49-3
|
|
| Related CAS # |
|
|
| PubChem CID |
91801179
|
|
| Appearance |
Off-white to light yellow solid powder
|
|
| LogP |
2
|
|
| Hydrogen Bond Donor Count |
2
|
|
| Hydrogen Bond Acceptor Count |
9
|
|
| Rotatable Bond Count |
6
|
|
| Heavy Atom Count |
39
|
|
| Complexity |
944
|
|
| Defined Atom Stereocenter Count |
0
|
|
| SMILES |
FC(C1=CC(NC=C1C(NC1=CC(=CC=C1N1CCOCC1)C1=CC=CC(=C1)CN1CCOCC1)=O)=O)(F)F
|
|
| InChi Key |
RFHOOFYUTGZPFH-UHFFFAOYSA-N
|
|
| InChi Code |
InChI=1S/C28H29F3N4O4/c29-28(30,31)23-16-26(36)32-17-22(23)27(37)33-24-15-21(4-5-25(24)35-8-12-39-13-9-35)20-3-1-2-19(14-20)18-34-6-10-38-11-7-34/h1-5,14-17H,6-13,18H2,(H,32,36)(H,33,37)
|
|
| Chemical Name |
N-[2-morpholin-4-yl-5-[3-(morpholin-4-ylmethyl)phenyl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
|
|
| Synonyms |
OICR-0547; 1801873-49-3; N-[2-morpholin-4-yl-5-[3-(morpholin-4-ylmethyl)phenyl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide; OICR 0547; orb1708989; OICR0547;OICR 0547
|
|
| HS Tariff Code |
2934.99.9001
|
|
| 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)
|
| Solubility (In Vitro) |
|
|||
|---|---|---|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.61 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 (4.61 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 (4.61 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.8431 mL | 9.2157 mL | 18.4315 mL | |
| 5 mM | 0.3686 mL | 1.8431 mL | 3.6863 mL | |
| 10 mM | 0.1843 mL | 0.9216 mL | 1.8431 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.
|
|---|
|
 16d(OICR-9429) is a potent and selective chemical probe suitable to help dissect the biological role of WDR5.J Med Chem.2016 Mar 24 |
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
COA
