30006-30-5

Basic information

• Product Name: methyl 2-[(1-oxobutyl)amino]benzoate
• Synonyms: methyl 2-[(1-oxobutyl)amino]benzoate;2-(1-Oxobutylamino)benzoic acid methyl ester;Methyl 2-butyraMidobenzoate
• CAS NO: 30006-30-5
• Molecular Formula: C₁₂H₁₅NO₃
• Molecular Weight: 221.2524
• EINECS: 250-000-1
• Mol File: 30006-30-5.mol
• Article Data: 4

Chemical Properties

• Melting Point: 71 °C
• Boiling Point: 395.8°Cat760mmHg
• Flash Point: 193.2°C
• Appearance: /
• Density: 1.143g/cm³
• Vapor Pressure: 1.79E-06mmHg at 25°C
• Refractive Index: 1.549
• PKA: 14.51±0.70(Predicted)
• CAS DataBase Reference: methyl 2-[(1-oxobutyl)amino]benzoate(CAS DataBase Reference)
• NIST Chemistry Reference: methyl 2-[(1-oxobutyl)amino]benzoate(30006-30-5)
• EPA Substance Registry System: methyl 2-[(1-oxobutyl)amino]benzoate(30006-30-5)

Safety Data

• Hazardous Substances Data: 30006-30-5(Hazardous Substances Data)

Usage

InChI:InChI=1/C12H15NO3/c1-3-6-11(14)13-10-8-5-4-7-9(10)12(15)16-2/h4-5,7-8H,3,6H2,1-2H3,(H,13,14)

Upstream product

• 141-75-3 butyryl chloride 
• 134-20-3 2-carbomethoxyaniline 
• 107-92-6 butyric acid 
• 106-31-0 butanoic acid anhydride 

Downstream Products

• 1207547-73-6 methyl 3-amino-2-butyramidobenzoate 
• 136285-39-7 methyl 2-butylamido-3-nitrobenzoate 
• 1873-60-5 3-ethyl-quinoline-2,4-diol 
• 128936-49-2 Butyl-[2-(1H-imidazole-2-sulfinylmethyl)-phenyl]-amine 
• 137760-71-5 Butyl-[2-(1H-imidazol-2-ylsulfanylmethyl)-phenyl]-amine 
• 137782-20-8 (2-Butylamino-phenyl)-methanol 

Relevant articles and documents

Development of novel benzimidazole-derived neddylation inhibitors for suppressing tumor growth in vitro and in vivo

Ubiquitin-like protein neddylation is overactivated in various human cancers and correlates with disease progression, and targeting this pathway represents a valuable therapeutic strategy. Our previous work disclosed an antihypertensive agent, candesartan cilexetic (CDC), serves as a novel neddylation inhibitor for suppressing tumor growth by targeting Nedd8-activating enzyme (NAE). In this study, 42 benzimidazole derivatives were designed and synthesized based on lead compound CDC to improve the neddylation inhibition and anticancer efficacy. Optimal benzimidazole-derived 35 displayed superior neddylation inhibition in enzyme assay compared to CDC (IC50 = 5.51 μM vs 16.43 μM), along with promising target inhibitory activity and killing selectivity in cancer cell. The results of cellular mechanism research combined with tumor growth suppression in human lung cancer cell A549 in vivo, accompanied with docking model, revealed that 35 has the potential to be developed as a promising neddylation inhibitor for anticancer therapy.

Synthesis and structure-activity relationships of N-substituted 2-[(2-imidazolylsulfinyl)methyl]anilines as a new class of gastric H+/K+-ATPase inhibitors

A series of N-substituted 2-[(2-imidazolylsulfinyl)methyl]anilines was synthesized and evaluated for its biological activity against H+/K+-ATPase prepared from rabbit stomach and gastric acid secretions in Heidenhain pouch dogs. Monoalkyl substituents on the nitrogen atom of the aniline moiety markedly inhibited the enzyme activity to the same degree as omeprazole, a representative H+/K+-ATPase inhibitor. Most of these compounds, administered at 3 mg/kg i.v. inhibited histamine-stimulated gastric acid secretion. The inhibitory activity of these derivatives on the enzymes at pH 6.0 was more potent than that at pH 7.4, and was distinctly correlated to stability in aqueous solution at pH 5.0.