1171897-39-4

Basic information

• Product Name: [5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)- pyridin-3-yl]-carbamic acid tert-butyl ester
• Synonyms: [5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)- pyridin-3-yl]-carbamic acid tert-butyl ester;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-ylcarbamate;(5-((tert-butoxycarbonyl)aMino)pyridin-3-yl) boronic acid;3-Boc-aminopyridine-5-boronic acid pinacol ester;(5-((TERT-BUTOXYCARBONYL)AMINO)PYRIDIN-3-YL)BORONIC ACID PINACOL ESTER
• CAS NO: 1171897-39-4
• Molecular Formula: C₁₆H₂₅BN₂O₄
• Molecular Weight: 320.1917
• Mol File: 1171897-39-4.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 400.7±30.0 °C(Predicted)
• Appearance: /Solid
• Density: 1.10±0.1 g/cm3(Predicted)
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• PKA: 13.04±0.70(Predicted)
• CAS DataBase Reference: [5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)- pyridin-3-yl]-carbamic acid tert-butyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: [5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)- pyridin-3-yl]-carbamic acid tert-butyl ester(1171897-39-4)
• EPA Substance Registry System: [5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)- pyridin-3-yl]-carbamic acid tert-butyl ester(1171897-39-4)

Safety Data

• Hazardous Substances Data: 1171897-39-4(Hazardous Substances Data)

Usage

General Description

"[5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridin-3-yl]-carbamic acid tert-butyl ester" is a chemical compound with the molecular formula C16H27BN2O3. It is a pyridine derivative with a boron-containing functional group and a tert-butyl ester group. [5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)- pyridin-3-yl]-carbamic acid tert-butyl ester may have potential applications in the field of organic synthesis, medicinal chemistry, or materials science. It is important to handle and store this chemical with caution, as it may pose health and environmental risks if not properly managed. Further research and experimentation may be necessary to fully understand the properties and potential uses of this compound.

InChI:InChI=1S/C16H25BN2O4/c1-14(2,3)21-13(20)19-12-8-11(9-18-10-12)17-22-15(4,5)16(6,7)23-17/h8-10H,1-7H3,(H,19,20)

Upstream product

• 13535-01-8 3-amino-5-bromopyridine 
• 24424-99-5 di-tert-butyl dicarbonate 
• 73183-34-3 bis(pinacol)diborane 
• 361550-43-8 (5-bromo-pyridin-3-yl)-carbamic acid tert-butyl ester 

Downstream Products

• 1201646-09-4 N-(5-(1-(4-(2-cyanopropan-2-yl)phenyl)-3-methyl-3H-pyrazolo[3,4-c]quinolin-8-yl)pyridin-3-yl)methanesulfonamide 
• 1201646-08-3 N-(5-(1-(4-(2-cyanopropan-2-yl)phenyl)-3-methyl-3H-pyrazolo[3,4-c]quinolin-8-yl)pyridin-3-yl)acetamide 
• 1201646-06-1 2-(4-(8-(5-aminopyridin-3-yl)-3-methyl-3H-pyrazolo[3,4-c]quinolin-1-yl)phenyl)-2-methylpropanenitrile 
• 1272354-85-4 tert-butyl 5-(5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl)pyridin-3-ylcarbamate 
• 1272354-95-6 N-(5-(5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl)pyridin-3-yl)methanesulfonamide 
• 1272354-89-8 1-(5-(5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl)pyridin-3-yl)urea 
• 1272354-88-7 N-(5-(5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl)pyridin-3-yl)sulfamide 
• 1272354-87-6 N-(5-(5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl)pyridin-3-yl)acetamide 
• 1272354-86-5 2-(5-aminopyridin-3-yl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine 
• 1201646-07-2 tert-butyl-5-(1-(4-(2-cyanopropan-2-yl)phenyl)-3-methyl-3H-pyrazolo[3,4-c]quinolin-8-yl)pyridin-3-ylcarbamate 
• 1201644-55-4 tert-butyl 5-(1-(4-(2-cyanopropan-2-yl)phenyl)-3H-pyrazolo[3,4-c]quinolin-8-yl)pyridin-3-ylcarbamate 

Relevant articles and documents

Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers

Small molecule ligand binding to the ATAD2 bromodomain is investigated here through the synergistic combination of molecular dynamics and protein crystallography. A previously unexplored conformation of the binding pocket upon rearrangement of the gatekeeper residue Ile1074 has been found. Further, our investigations reveal how minor structural differences in the ligands result in binding with different plasticity of the ZA loop for this difficult-to-drug bromodomain.

PERFORIN INHIBITING BENZENESULFONAMIDE COMPOUNDS, PREPARATION AND USES THEREOF

Compounds of formula (la) and pharmaceutically acceptable salts, solvates, and hydrates thereof and related methods of modulatin perforin activity on a cell: wherein Ring A is selected from a 6-10 membered aryl, 5-6 membered cycloalkyi, 5-6 membered heteroaryl or 5-6 membered heterocyclyl, wherein the heteroaryl and heterocyclyl rings comprise at least one heteroatom selected from N, O or S; and wherein the aryl, cycloalkyi, heteroaryl or heterocyclyl rings are optionally substituted with 1 to 3 substituents selected from halo, nitro, -C1-Cealkyl, -C1-Ceaminoalkyl, -C1-C6hydroxyalkyl, -haloC1-C6alkyl, -C1- C6alkoxyl, -haloC1-C6alkyl, -CH2OC(O)CrC6alkyl, -C(O)OC1,-C6alkyI, -NHC(O)C1,-C6alkyl, -NHS(O)2C1- C6alkyl, -S(O)2C1-C6alkyl, -S(O)2NH2, and -C(O)NJJ; Ring B is a 6-10 membered arylene or a 5-6 membered heteroarylene comprising at least one heteroatom selected from N, 0 or S; and wherein the aryl or heteroaryl is optionally, substituted with one or more substituents selected from -NJJ, -OJ, halo,C1 -C6alkyl, -haloC1- C6alkyl, -C1-C6alkoxy, -haloC1-C6alkoxyl, and -C(0)NJJ; Ring C is is selected from a 5-10 membered heteroarylene or a 5-10 membered heterocyclene, each comprising at least one heteroatom selected from N, S and O; Ring D is an optionally substituted benzofused 9-11 membered heterocyclyl or optionally substituted ben2ofused 9-11 membered heteroaryl comprising at least one heteroatom selected from N or O; L is a linker selected from branched and unbranched C1-C4 alkylene, -S(0)2-NH-, -C(0)-NH-, -NH-C(0)-NH-, -S(0)2-NH-C(0)-NH-, -S(0)2-NH-C(0) - and -CH=CH-; wherein Rings B and C, and Rings C and D, are connected to each other via a C-C bond at any of the available C atoms on each respective ring; and J in each occurrence is independently selected from H, optionally substituted C1-C6alkyl or optionally substituted haloC1-C6alkyl.

Pyrrolopyrimidines and Pyrrolopyridines

Compounds of formula I in free or salt or solvate form, wherein X, T1, T3 and T4 have the meanings as indicated in the specification, are useful for treating diseases mediated by the ALK-5 and/or ALK-4 receptor. Pharmaceutical compositions that contain the compounds and processes for preparing the compounds are also described.