| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
|
||
| 10mg |
|
||
| 25mg |
|
||
| 50mg |
|
||
| 100mg |
|
||
| 250mg | |||
| Other Sizes |
| Targets |
MBD2 (methyl-CpG-binding domain protein 2)
The primary target is MBD2 (methyl-CpG-binding domain protein 2), a protein that binds to methylated DNA and regulates gene expression. KCC-07 selectively inhibits this interaction, preventing MBD2 from binding to methylated DNA. By inhibiting MBD2, KCC-07 modulates the interactions between MBD2 and methylated DNA, potentially altering gene expression patterns. This inhibition activates brain-specific angiogenesis inhibitor 1 (BAI1) and induces anti-proliferative BAI1/p53/p21 signaling. The compound also reactivates ADGRB1 expression and prevents MDM2-mediated p53 polyubiquitination. |
|---|---|
| ln Vitro |
In vitro treatment of MB cells with KCC-07 (10 μM; 72 hours) greatly decreased their proliferation, in line with anti-proliferative BAI1/p53/p21 signaling [1]. treatment of MB cells) significantly reduced the binding of MBD2 to the ADGRB1 promoter and reinstated the production of BAI1 mRNA and protein in MB cells that had been BAI1-silenced [1].
KCC-07 prevents binding of MBD2 to methylated DNA. This inhibition activates BAI1 (brain-specific angiogenesis inhibitor 1) and induces anti-proliferative BAI1/p53/p21 signaling. The compound demonstrates anticancer activity in various cellular models. By blocking MBD2 function, KCC-07 can reactivate tumor suppressor genes that are silenced by DNA methylation, thereby inhibiting cancer cell proliferation. The compound's selectivity for MBD2 over other methyl-CpG binding proteins contributes to its specific biological effects and reduced off-target activity. |
| ln Vivo |
KCC-07 (100 mg/kg; intraperitoneal injection; 5 days/week; athymic nude mice) treatment significantly extended the lifespan of MB xenografts in vivo and suppressed tumor growth [1].
KCC-07 demonstrates anticancer activity in vivo. As a brain-penetrant compound, it can reach targets in the central nervous system, making it valuable for studying brain tumors and neurological disorders. The compound's ability to cross the blood-brain barrier is a critical feature for potential therapeutic applications in brain cancers and neurological conditions where MBD2 plays a role. In vivo efficacy would likely be evaluated in orthotopic brain tumor models or other cancer models where MBD2 inhibition is expected to have therapeutic benefit. |
| Enzyme Assay |
No specific non-cell assay protocol is available for KCC-07. For MBD2 inhibitors, standard cell-free assays include fluorescence polarization or electrophoretic mobility shift assays (EMSA) using recombinant MBD2 protein and fluorescently labeled methylated DNA oligonucleotides. The compound is incubated with the protein and DNA, and the inhibition of binding is measured by changes in fluorescence polarization or gel mobility. These assays can determine the compound's potency (IC50) and provide mechanistic insights into how it interferes with the MBD2-DNA interaction.
|
| Cell Assay |
Cell viability assay [1]
Cell Types: Medulloblastoma (MB) cells Tested Concentrations: 10 μM Incubation Duration: 72 hrs (hours) Experimental Results: Dramatically inhibited MB cell growth in vitro. Western Blot Analysis [1] Cell Types: Medulloblastoma (MB) Cell Tested Concentrations: 10 μM Incubation Duration: 48 hrs (hours) Experimental Results: In BAI1-silenced MB cells, MBD2 binding to the ADGRB1 promoter was largely eliminated. No specific cell-based assay protocol is available for KCC-07. For MBD2 inhibitors, cellular assays involve treatment of cancer cell lines with compound for 24-72 hours. Following treatment, cells are analyzed for markers of MBD2 inhibition, including reactivation of methylated genes, expression of BAI1, p53, and p21 proteins by western blot, and cell proliferation assays (MTT or CCK-8). Additionally, methylation-specific PCR or bisulfite sequencing may be used to confirm changes in DNA methylation patterns at target gene promoters. |
| Animal Protocol |
Animal/Disease Models: outbred athymic nude mice (female; 8-10 weeks old) injected with MB cells [1]
Doses: 100 mg/kg Route of Administration: intraperitoneal (ip) injection; 5 days per week Experimental Results: Dramatically prolonged MB xenogeneic How long the graft survives in the body. No specific animal protocol is available for KCC-07. For brain tumor models, standard in vivo studies use orthotopic xenograft models where cancer cells are implanted into mouse brain. Compound is administered (typically oral or intraperitoneal) for 2-4 weeks, with tumor size measurement by MRI or bioluminescence imaging. For other cancer models, subcutaneous xenografts or transgenic models may be used. The brain-penetrant property of KCC-07 is particularly important for studies of brain metastases or primary brain tumors. |
| ADME/Pharmacokinetics |
No detailed pharmacokinetic data is publicly available for KCC-07. KCC-07 is described as brain-penetrant, indicating it crosses the blood-brain barrier. It has a molecular weight of 269.32 and formula C14H11N3OS. The compound is soluble in DMSO at 100 mg/mL and in ethanol at 54 mg/mL, but is insoluble in water. For in vivo administration, a homogeneous suspension can be prepared in CMC-Na at ≥5 mg/mL. Comprehensive pharmacokinetic studies would be required to determine absorption, distribution, metabolism, and elimination parameters.
|
| Toxicity/Toxicokinetics |
No detailed toxicology data is publicly available for KCC-07. As a research compound, standard preclinical toxicology would be required for therapeutic development. Its brain-penetrant property suggests potential for CNS-related side effects that would need careful evaluation. The compound's selectivity for MBD2 may contribute to a manageable safety profile, though potential off-target effects on other methyl-CpG binding proteins or unrelated targets would need to be assessed. The compound is for research use only and not for therapeutic applications.
|
| References | |
| Additional Infomation |
KCC-07 (3-[[4-(2-pyridinyl)-2-thiazolyl]amino]phenol) has molecular weight 269.32 and formula C14H11N3OS. It is classified as an Epigenetics compound. The compound is soluble in DMSO at 100 mg/mL and in ethanol at 54 mg/mL, but is insoluble in water. For in vivo administration, it can be formulated as a homogeneous suspension in CMC-Na at ≥5 mg/mL. Purity is 99.81%. No clinical trial or approved drug status has been identified; it remains a research tool for studying MBD2 biology and epigenetic regulation in cancer and neurological disorders.
|
| Molecular Formula |
C14H11N3OS
|
|---|---|
| Molecular Weight |
269.321641206741
|
| Exact Mass |
269.06
|
| Elemental Analysis |
C, 62.44; H, 4.12; N, 15.60; O, 5.94; S, 11.90
|
| CAS # |
315702-75-1
|
| PubChem CID |
704347
|
| Appearance |
White to yellow solid powder
|
| LogP |
3.1
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
5
|
| Rotatable Bond Count |
3
|
| Heavy Atom Count |
19
|
| Complexity |
292
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C1=CC=NC(=C1)C2=CSC(=N2)NC3=CC(=CC=C3)O
|
| InChi Key |
GIGNWEDIMLUWCT-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C14H11N3OS/c18-11-5-3-4-10(8-11)16-14-17-13(9-19-14)12-6-1-2-7-15-12/h1-9,18H,(H,16,17)
|
| Chemical Name |
3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenol
|
| Synonyms |
KCC 07; KCC07; KCC-07
|
| HS Tariff Code |
2934.99.03.00
|
| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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) |
DMSO: 54~125 mg/mL (200.5~464.1 mM)
Ethanol: 54 mg/mL |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (7.72 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 20.8 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: ≥ 2.08 mg/mL (7.72 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 20.8 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: ≥ 2.08 mg/mL (7.72 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 | 3.7131 mL | 18.5653 mL | 37.1306 mL | |
| 5 mM | 0.7426 mL | 3.7131 mL | 7.4261 mL | |
| 10 mM | 0.3713 mL | 1.8565 mL | 3.7131 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.
|
|
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
