3-[(3-Methoxybenzoyl)amino]-4-(4-Methyl-1-piperazinyl)benzoic Acid Methyl Ester, also known as WDR5-0103, is a small molecule inhibitor of WD-repeat protein 5 (WDR5), a scaffold protein that plays a crucial role in the formation of nucleosome-modifying protein complexes with histones. WDR5 is an essential component of the human trithorax-like family of SET1 methyltransferase complexes, which are responsible for the trimethylation of histone 3 Lys4. WDR5-0103 binds to a peptide-binding pocket on WDR5 with high affinity (Kd = 450 nM) and inhibits the catalytic activity of the MLL core complex in vitro (IC50 = 39 μM).
890190-22-4
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Basic information
- Product Name: 3-[(3-Methoxybenzoyl)aMino]-4-(4-Methyl-1-piperazinyl)benzoic Acid Methyl Ester
- Synonyms: 3-[(3-Methoxybenzoyl)aMino]-4-(4-Methyl-1-piperazinyl)benzoic Acid Methyl Ester;Methyl 3-(3-methoxybenzamido)-4-(4-methylpiperazin-1-yl)benzoate;WDR5-0103
- CAS NO:890190-22-4
- Molecular Formula: C21H25N3O4
- Molecular Weight: 383.4409
- EINECS: N/A
- Product Categories: Amines, Aromatics, Pharmaceuticals, Intermediates & Fine Chemicals
- Mol File: 890190-22-4.mol
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Chemical Properties
- Melting Point: N/A
- Boiling Point: 495.2±45.0 °C(Predicted)
- Flash Point: N/A
- Appearance: white to beige/
- Density: 1.223±0.06 g/cm3(Predicted)
- Refractive Index: N/A
- Storage Temp.: 2-8°C
- Solubility: DMSO: soluble10mg/mL, clear
- PKA: 12.96±0.70(Predicted)
- CAS DataBase Reference: 3-[(3-Methoxybenzoyl)aMino]-4-(4-Methyl-1-piperazinyl)benzoic Acid Methyl Ester(CAS DataBase Reference)
- NIST Chemistry Reference: 3-[(3-Methoxybenzoyl)aMino]-4-(4-Methyl-1-piperazinyl)benzoic Acid Methyl Ester(890190-22-4)
- EPA Substance Registry System: 3-[(3-Methoxybenzoyl)aMino]-4-(4-Methyl-1-piperazinyl)benzoic Acid Methyl Ester(890190-22-4)
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Safety Data
- Hazard Codes: N
- Statements: 50/53
- Safety Statements: 60-61
- RIDADR: UN 3077 9 / PGIII
- WGK Germany: 3
- RTECS:
- HazardClass: N/A
- PackingGroup: N/A
- Hazardous Substances Data: 890190-22-4(Hazardous Substances Data)
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890190-22-4 Usage
Uses
Used in Pharmaceutical Industry:3-[(3-Methoxybenzoyl)amino]-4-(4-Methyl-1-piperazinyl)benzoic Acid Methyl Ester is used as a small molecule inhibitor for targeting WDR5 in the development of potential therapeutic agents. Its ability to inhibit the catalytic activity of the MLL core complex makes it a promising candidate for the treatment of various diseases, particularly those involving abnormal histone modification and chromatin remodeling.
Used in Cancer Research:
In the field of cancer research, 3-[(3-Methoxybenzoyl)amino]-4-(4-Methyl-1-piperazinyl)benzoic Acid Methyl Ester is used as a tool to study the role of WDR5 in the regulation of gene expression and its involvement in cancer progression. By inhibiting WDR5, researchers can gain insights into the molecular mechanisms underlying cancer development and identify potential therapeutic targets for the treatment of various malignancies.
Used in Epigenetic Studies:
3-[(3-Methoxybenzoyl)amino]-4-(4-Methyl-1-piperazinyl)benzoic Acid Methyl Ester is utilized in epigenetic studies to investigate the role of WDR5 in histone methylation and its impact on gene regulation. Understanding the function of WDR5 in the context of histone modification can provide valuable information on the epigenetic control of gene expression and its implications in various biological processes and diseases.
Used in Drug Discovery and Development:
In the drug discovery and development process, 3-[(3-Methoxybenzoyl)amino]-4-(4-Methyl-1-piperazinyl)benzoic Acid Methyl Ester serves as a lead compound for the design and optimization of novel inhibitors targeting WDR5. By studying the structure-activity relationship of WDR5-0103 and its analogs, chemists can develop more potent and selective inhibitors with improved pharmacological properties for the treatment of diseases associated with WDR5 dysregulation.
Check Digit Verification of cas no
The CAS Registry Mumber 890190-22-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,9,0,1,9 and 0 respectively; the second part has 2 digits, 2 and 2 respectively.Calculate Digit Verification of CAS Registry Number 890190-22:
(8*8)+(7*9)+(6*0)+(5*1)+(4*9)+(3*0)+(2*2)+(1*2)=174
174 % 10 = 4
So 890190-22-4 is a valid CAS Registry Number.
890190-22-4 Well-known Company Product Price
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3-[(3-Methoxybenzoyl)aMino]-4-(4-Methyl-1-piperazinyl)benzoic Acid Methyl Ester
