Methyl 3-[(3-methoxybenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate

Base Information

• Chemical Name: Methyl 3-[(3-methoxybenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate
• CAS No.: 890190-22-4
• Molecular Formula: C21H25N3O4
• Molecular Weight: 383.4409
• European Community (EC) Number: 806-014-0
• Nikkaji Number: J3.139.259D
• Wikidata: Q27450989
• ChEMBL ID: CHEMBL3906778
• Mol file: 890190-22-4.mol

Synonyms:890190-22-4;WDR5-0103;WDR5 0103;Methyl 3-[(3-methoxybenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate;3-[(3-Methoxybenzoyl)amino]-4-(4-methyl-1-piperazinyl)benzoic acid methyl ester;Methyl 3-(3-methoxybenzamido)-4-(4-methylpiperazin-1-yl)benzoate;WD-Repeat Protein 5-0103;CHEMBL3906778;SCHEMBL20214096;EX-A918;BCP24157;BDBM50195371;MFCD07086826;s2184;STK892274;AKOS000474749;CS-5228;WDR-5-0103;NCGC00384201-02;AC-35266;BS-17878;HY-19347;FT-0700398;N10971;A903601;Q27450989;WDR50103;methyl 3-[(3-methoxybenzoyl)amino]-4-(4-methyl-1-piperazinyl)benzoate;methyl 3-{[(3-methoxyphenyl)carbonyl]amino}-4-(4-methylpiperazin-1-yl)benzoate;0BW

Chemical Property of Methyl 3-[(3-methoxybenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate

Chemical Property:

• Boiling Point: 495.2±45.0 °C(Predicted)
• PKA: 12.96±0.70(Predicted)
• PSA: 74.60000
• Density: 1.223±0.06 g/cm3(Predicted)
• LogP: 2.87280
• Storage Temp.: 2-8°C
• Solubility.: DMSO: soluble10mg/mL, clear
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 383.18450629
• Heavy Atom Count: 28
• Complexity: 536

Purity/Quality:

99.3% ^*data from raw suppliers

WDR5 0103 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: N
• Statements: 50/53
• Safety Statements: 60-61

MSDS Files:

Useful:

• Canonical SMILES: CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC(=CC=C3)OC
• Description: WD-repeat protein 5 (WDR5) is a scaffold protein commonly involved in the formation of nucleosome-modifying protein complexes with histones. For example, WDR5 is a component of a mixed-lineage leukemia (MLL) methyltransferase complex that targets histone 3. WDR5 can also be a component of histone acetyltransferase complexes and can directly bind methylated as well as unmodified histones. WDR5-0103 is a small molecule that binds a peptide-binding pocket on WDR5 (Kd = 450 nM), inhibiting the catalytic activity of the MLL core complex in vitro (IC50 = 39 μM).
• Uses: 3-[(3-Methoxybenzoyl)amino]-4-(4-methyl-1-piperazinyl)benzoic Acid Methyl Ester is an small molecule inhibitor of WDR5, an essential componet of the human trithorax-like famliy of SET1 methyltransferase complexes that carry out trimethylation of histone 3 Lys4.