874291-02-8

Basic information

• Product Name: 4-[(ISOPROPYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 98%4-(3-ISOPROPYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER
• Synonyms: 4-[(ISOPROPYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 98%4-(3-ISOPROPYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER;4-[(ISOPROPYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER;4-(3-ISOPROPYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER;4-(3-ISOPROPYLUREIDO)PHENYLBORONIC ACID, PINACOL ESTER;1-ISOPROPYL-3-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]UREA;4-[(Isopropylcarbamoyl)amino]benzeneboronic acid, pinacol ester 98%;urea,N-(1-Methylethy)-N-(4-(4,4,5,5,-TetraMethyl-1,3,2-dioxaborolan-2-yl)pheny);4-[(Isopropylcarbamoyl)amino]benzeneboronicacid,pinacolester98%
• CAS NO: 874291-02-8
• Molecular Formula: C₁₆H₂₅BN₂O₃
• Molecular Weight: 304.19
• Product Categories: blocks;BoronicAcids
• Mol File: 874291-02-8.mol

Chemical Properties

• Melting Point: 234-236
• Boiling Point: 401.3 °C at 760 mmHg
• Flash Point: 196.5 °C
• Appearance: /
• Density: 1.07 g/cm³
• Vapor Pressure: 1.19E-06mmHg at 25°C
• Refractive Index: 1.515
• Storage Temp.: Keep Cold
• PKA: 13.80±0.46(Predicted)
• CAS DataBase Reference: 4-[(ISOPROPYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 98%4-(3-ISOPROPYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 4-[(ISOPROPYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 98%4-(3-ISOPROPYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER(874291-02-8)
• EPA Substance Registry System: 4-[(ISOPROPYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 98%4-(3-ISOPROPYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER(874291-02-8)

Safety Data

• Hazard Codes: Xi
• Hazardous Substances Data: 874291-02-8(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Research:
4-[(Isopropylcarbamoyl)amino]benzenboronic acid, Pinacol ester 98% and 4-(3-isopropylureido)benzenboronic acid, Pinacol ester are used as reagents in the synthesis of various pharmaceuticals and organic compounds. Their ability to bind to biomolecules makes them valuable in drug discovery, where they can be used to develop new drugs with specific targeting properties.
Used in Chemical Biology Research:
In chemical biology, these boronic acid pinacol esters are employed as tools to study the interactions between small molecules and biomolecules. They can be used to probe the structure and function of proteins, nucleic acids, and other biological macromolecules, providing insights into their mechanisms of action and potential applications in therapeutics.
Used in the Development of New Chemical Reactions:
4-[(Isopropylcarbamoyl)amino]benzenboronic acid, Pinacol ester 98% and 4-(3-isopropylureido)benzenboronic acid, Pinacol ester are utilized in the development of new chemical reactions and methodologies for the construction of complex organic molecules. Their unique reactivity allows chemists to explore novel synthetic routes and strategies for the synthesis of biologically active compounds and other valuable organic molecules.
Used in Research and Development Applications:
Both compounds are commercially available in high purity, making them ideal for use in research and development applications across various industries. Their versatility and reactivity in chemical reactions make them valuable assets in the synthesis and modification of a wide range of organic compounds for various purposes, including pharmaceuticals, agrochemicals, and materials science.

InChI:InChI=1/C16H25BN2O3/c1-11(2)18-14(20)19-13-9-7-12(8-10-13)17-21-15(3,4)16(5,6)22-17/h7-11H,1-6H3,(H2,18,19,20)

Upstream product

• 75-31-0 isopropylamine 

Relevant articles and documents

2-PYRIDONE COMPOUNDS

A 2-pyridone compound represented by the formula [1]: {wherein in the formula [1], the ring represented by A represents a benzene ring or a pyridine ring, X represents any of the structures represented by the formulas [3] shown below: V represents a single bond or a lower alkylene group, and W represents a single bond, an ether bond or a lower alkylene group (wherein the lower alkylene group may contain an ether bond)}, a tautomer or stereoisomer of the compound, a pharmaceutically acceptable salt thereof, or a solvate thereof is a compound that has an excellent GK activating effect and is useful as a pharmaceutical.

Discovery of 4-morpholino-6-aryl-1H-pyrazolo[3,4-d]pyrimidines as highly potent and selective ATP-competitive inhibitors of the mammalian target of rapamycin (mTOR): Optimization of the 6-aryl substituent

Design and synthesis of a series of 4-morpholino-6-aryl-1H-pyrazolo[3,4-d] pyrimidines as potent and selective inhibitors of the mammalian target of rapamycin (mTOR) are described. Optimization of the 6-aryl substituent led to the discovery of inhibitors carrying 6-ureidophenyl groups, the first reported active site inhibitors of mTOR with subnanomolar inhibitory concentrations. The data presented in this paper show that 6-arylureidophenyl substituents led to potent mixed inhibitors of mTOR and phosphatidylinositol 3-kinase α (PI3K-α), whereas 6-alkylureidophenyl appendages gave highly selective mTOR inhibitors. Combination of 6-alkylureidophenyl groups with 1-carbamoylpiperidine substitution resulted in compounds with subnanomolar IC50 against mTOR and greater than 1000-fold selectivity over PI3K-α. In addition, structure based drug design resulted in the preparation of several 6-arylureidophenyl-1H-pyrazolo[3,4-d]pyrimidines, substituted in the 4-position of the arylureido moiety with water solubilizing groups. These compounds combined potent mTOR inhibition (IC50501 nM). 2009 American Chemical Society.