2-Carbamoylphenylboronic Acid
Product Information
Molecular Formula
C7H8NO3B
Molecular Weight
164.95
Description
2-Aminocarbonylphenylboronic acid acts as a reagent in the preparation of RIPK2 inhibitors for the treatment of inflammatory diseases.
Synonyms
(2-carbamoylphenyl)boronic acid; (2-carbamoylphenyl)boronic acid
IUPAC Name
(2-carbamoylphenyl)boronic acid
SMILES
B(C1=CC=CC=C1C(=O)N)(O)O
InChI
InChI=1S/C7H8BNO3/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4,11-12H,(H2,9,10)
InChI Key
LBWJTKOVBMVJJX-UHFFFAOYSA-N
Boiling Point
410.3 °C at 760 mmHg
Flash Point
Not applicable
Density
1.32 g/cm3
Appearance
White to off white solid
LogP
-0.83440
Safety Information
Hazards
H302 - H319
Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
165.0597233 g/mol
Monoisotopic Mass
165.0597233 g/mol
Topological Polar Surface Area
83.6Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
174
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| WO-2021113263-A1 | Crf receptor antagonists and methods of use | 2019-12-04 |
| JP-2021007389-A | 4-Amino Antipyrin-Containing Subcomposition for Saccharified Protein Measuring Reagent Containing Stabilizer, Saccharified Protein Measuring Reagent, Saccharified Protein Measuring Method, Stabilizing 4-Amino Antipyrin-Containing Subcomposition for Saccharified Protein Measuring Reagent , And a method for preserving 4-aminoantipyrine-containing partial compositions for glycated protein measurement reagents. | 2019-07-01 |
| US-2019374542-A1 | Kras g12c inhibitors and methods of using the same | 2018-06-12 |
| US-2020003773-A1 | Optical detection of biological components | 2018-04-05 |
| AU-2018283053-A1 | Imidazole-containing inhibitors of ALK2 kinase | 2017-06-15 |
| CA-3066164-A1 | Imidazole-containing inhibitors of alk2 kinase | 2017-06-15 |
| CN-110913855-A | Imidazole-containing ALK2 kinase inhibitors | 2017-06-15 |
| EP-3638229-A1 | Imidazole-containing inhibitors of alk2 kinase | 2017-06-15 |
| WO-2018232094-A1 | Imidazole-containing inhibitors of alk2 kinase | 2017-06-15 |
| BR-112019026517-A2 | alk2 kinase imidazole-containing inhibitors | 2017-06-15 |
