168162-30-9

Basic information

• Product Name: 3-(N-TERT-BUTOXYCARBONYL-N-METHYLAMINO)BENZOIC ACID
• Synonyms: 3-(N-TERT-BUTOXYCARBONYL-N-METHYLAMINO)BENZOIC ACID;3-(N-Boc-N-MethylaMino)benzoic acid
• CAS NO: 168162-30-9
• Molecular Formula: C₁₃H₁₇NO₄
• Molecular Weight: 251.28
• Mol File: 168162-30-9.mol

Chemical Properties

• Boiling Point: 391.3±25.0 °C(Predicted)
• Appearance: /
• Density: 1.199±0.06 g/cm3(Predicted)
• PKA: 4.18±0.10(Predicted)
• CAS DataBase Reference: 3-(N-TERT-BUTOXYCARBONYL-N-METHYLAMINO)BENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(N-TERT-BUTOXYCARBONYL-N-METHYLAMINO)BENZOIC ACID(168162-30-9)
• EPA Substance Registry System: 3-(N-TERT-BUTOXYCARBONYL-N-METHYLAMINO)BENZOIC ACID(168162-30-9)

Safety Data

• Hazardous Substances Data: 168162-30-9(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
3-(N-TERT-BUTOXYCARBONYL-N-METHYLAMINO)BENZOIC ACID is used as a pharmaceutical intermediate for the production of various pharmaceuticals. Its role in modifying and controlling the properties of peptides and proteins makes it a valuable component in the development of new drugs.
Used in Peptide Synthesis:
In the field of peptide synthesis, 3-(N-TERT-BUTOXYCARBONYL-N-METHYLAMINO)BENZOIC ACID is used as a building block. It is essential in the synthesis of peptides that are vital for biological and medicinal research, contributing to the advancement of scientific understanding and the creation of innovative therapeutic agents.

Upstream product

• 111331-82-9 3-[(tert-butoxycarbonyl)amino]benzoic acid 
• 74-88-4 methyl iodide 
• 24424-99-5 di-tert-butyl dicarbonate 
• 99-05-8 meta-aminobenzoic acid 
• 124-38-9 carbon dioxide 
• 57598-34-2 3-Bromo-N-tert-butoxycarbonyl-N-methylaniline 
• 66584-32-5 3-bromo-N-methylaniline 
• 161111-23-5 tert-butyl 3-(methoxycarbonyl)phenylcarbamate 
• 4518-10-9 Methyl 3-aminobenzoate 
• 168162-31-0 methyl 3-((tert-butoxycarbonyl)(methyl)amino)benzoate 
• 51524-84-6 meta-(methylamino)benzoic acid 

Downstream Products

• 168162-32-1 3-[N-(tert-butoxycarbonyl)-N-methyl-amino]phenyl isocyanate 
• 1438087-95-6 (1R,3aR,4S,7aR)-7a-methyl-1-((R)-6-methylheptan-2-yl)octahydro-1H-inden-4-yl 3-((tert-butoxycarbonyl)(methyl)amino)benzoate 
• 155488-25-8 N-((3R)-1-tert-Butylcarbonylmethyl-2,3-dihydro-2-oxo-5-(pyridin-2-yl)-1H-1,4-benzodiazepin-3-yl)-N'-(3-methylaminophenyl)urea 

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(3R)-N-(1-(tert-butylcarbonylmethyl)-2,3-dihydro-2-oxo-5-(2-pyridyl)- 1H-1,4-benzodiazepin-3-yl)-N'-(3-(methylamino)phenyl)urea (YF476): A potent and orally active gastrin/CCK-B antagonist

A number of new 1,4-benzodiazepin-2-one-based gastrin/CCK-B receptor antagonists related to the archetypal analogue L-365,260, and more closely to the recently reported compound YM022, have been synthesized and evaluated for biological activity. The compounds were screened for their ability to inhibit the binding of [125I]CCK-8 to gastrin/CCK-B receptors prepared from rat brains and that of [3H]L-364,718 to CCK-A receptors from rat pancreas, and were shown to be potent and selective ligands for the gastrin/CCK-B receptor. Functional studies in vivo demonstrated the compounds to be antagonists of the receptor as evidenced by their ability to inhibit pentagastrin-induced gastric acid secretion in anesthetized rats. More extensive evaluation in viva included determination of ED50 values in the rat acid secretion model for selected compounds and an examination of the effect of these compounds on pentagastrin-induced gastric acid secretion in Heidenhain pouch dogs following oral and intravenous administration. Two compounds, i.e. (3R)-N- [1-[(tert-butylcarbonyl)methyl]-2,3-dihydro-2-oxo-5-(2-pyridyl)-1H-1,4- benzodiazepin-3-yl]-N'-[3-(methylamino)phenyl]urea, 15c (YF476), and (3R)-N- [1-[(tert-Butylcarbonyl)methyl]-2,3-dihydro-2-oxo-5-(2-pyridyl)-1H-1,4- benzodiazepin-3-yl]-N'-[3-(dimethylamino)phenyl]urea hydrochloride, 15d, showed potent dose-dependent effects in both models with the former showing excellent oral bioavailability and an ED50 of 21 nmol/kg po in dogs. 15e is currently under clinical investigation for the treatment of gastro-oesophagal reflux disease (GORD).